Home › Entities › group_of_stereoisomers › (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one

(5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one

chemical compound
ChemicalSubstance group_of_stereoisomers Q27216064
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(5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one

Summary

(5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one is a group of stereoisomers[1].

Key Facts

  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's instance of is recorded as group of stereoisomers[2].
  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's canonical SMILES is recorded as CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O[3].
  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's InChI is recorded as InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11?,15-,20?,21+,22-,24?,25?,26+,27?,29?/m0/s1[4].
  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's InChIKey is recorded as VJJPUSNTGOMMGY-SEMSPOPGSA-N[5].
  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's chemical formula is recorded as C₂₉H₃₂O₁₃[6].
  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's subclass of is recorded as chemical compound[7].
  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's ChEMBL ID is recorded as CHEMBL16671[8].
  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's ChemSpider ID is recorded as 388618[9].
  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's PubChem CID is recorded as 439525[10].
  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's ChEBI ID is recorded as 125447[11].
  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's isomeric SMILES is recorded as CC1OCC2C(O1)C(C(C(O2)O[C@H]3[C@H]4COC(=O)[C@@H]4C@@HC7=CC(=C(C(=C7)OC)O)OC)O)O[12].
  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+588.184'}[13].
  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's SureChEMBL ID is recorded as 5020107[14].
  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's UniChem compound ID is recorded as 807678[15].
  • (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one's Probes And Drugs ID is recorded as PD004097[16].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.
  2. [3] ↑ . PubChem. Retrieved . wikidata.org.
  3. [4] ↑ . PubChem. Retrieved . wikidata.org.
  4. [5] ↑ . PubChem. Retrieved . wikidata.org.
  5. [6] ↑ . PubChem. Retrieved . wikidata.org.
  6. [7] ↑ . wikidata.org.
  7. [8] ↑ . ChEMBL. Retrieved . wikidata.org.
  8. [9] ↑ . Q2311683. Retrieved . wikidata.org.
  9. [10] ↑ . PubChem. Retrieved . wikidata.org.
  10. [11] ↑ . ChEBI. Retrieved . wikidata.org.
  11. [12] ↑ . PubChem. Retrieved . wikidata.org.
  12. [13] ↑ . PubChem. Retrieved . wikidata.org.
  13. [14] ↑ . wikidata.org.
  14. [15] ↑ . UniChem. wikidata.org.
  15. [16] ↑ . wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

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Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one. Retrieved May 3, 2026, from https://4ort.xyz/entity/-5s-5ar-8ar-9r-5-7-8-dihydroxy-2-methyl-4-4a-6-7-8-8a-hexahydropyrano-3-2-d-1-3-dioxin-6-yl-oxy-9-4-hydroxy-3-5-dimethoxyphenyl-5a-6-8a-9-tetrahydro-5h-isobenzofuro-6-5-f-1-3-benzodioxol-8-one
MLA “(5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/-5s-5ar-8ar-9r-5-7-8-dihydroxy-2-methyl-4-4a-6-7-8-8a-hexahydropyrano-3-2-d-1-3-dioxin-6-yl-oxy-9-4-hydroxy-3-5-dimethoxyphenyl-5a-6-8a-9-tetrahydro-5h-isobenzofuro-6-5-f-1-3-benzodioxol-8-one.
BibTeX @misc{4ortxyz_-5s-5ar-8ar-9r-5-7-8-dihydroxy-2-methyl-4-4a-6-7-8-8a-hexahydropyrano-3-2-d-1-3-dioxin-6-yl-oxy-9-4-hydroxy-3-5-dimethoxyphenyl-5a-6-8a-9-tetrahydro-5h-isobenzofuro-6-5-f-1-3-benzodioxol-8-one_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{(5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one}}, year = {2026}, url = {https://4ort.xyz/entity/-5s-5ar-8ar-9r-5-7-8-dihydroxy-2-methyl-4-4a-6-7-8-8a-hexahydropyrano-3-2-d-1-3-dioxin-6-yl-oxy-9-4-hydroxy-3-5-dimethoxyphenyl-5a-6-8a-9-tetrahydro-5h-isobenzofuro-6-5-f-1-3-benzodioxol-8-one}, note = {Accessed: 2026-05-03}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one — https://4ort.xyz/entity/-5s-5ar-8ar-9r-5-7-8-dihydroxy-2-methyl-4-4a-6-7-8-8a-hexahydropyrano-3-2-d-1-3-dioxin-6-yl-oxy-9-4-hydroxy-3-5-dimethoxyphenyl-5a-6-8a-9-tetrahydro-5h-isobenzofuro-6-5-f-1-3-benzodioxol-8-one (retrieved 2026-05-03)

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