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(4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol

chemical compound
ChemicalSubstance group_of_stereoisomers Q27163755
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(4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol

Summary

(4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol is a group of stereoisomers[1].

Key Facts

  • (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol's instance of is recorded as group of stereoisomers[2].
  • (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol's canonical SMILES is recorded as C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O[3].
  • (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol's InChI is recorded as InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19?,20-,21+/m0/s1[4].
  • (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol's InChIKey is recorded as NETZHAKZCGBWSS-XDWDPSITSA-N[5].
  • (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol's chemical formula is recorded as C₂₁H₂₇NO₄[6].
  • (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol's subclass of is recorded as (4R,4aS,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol[7].
  • (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol's ChemSpider ID is recorded as 4514550[8].
  • (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol's PubChem CID is recorded as 5360630[9].
  • (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol's ChEBI ID is recorded as 91959[10].
  • (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol's isomeric SMILES is recorded as C1CC(C1)CN2CC[C@]34C5C@HO[11].
  • (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+357.194008'}[12].
  • (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol's SureChEMBL ID is recorded as 4545390[13].
  • (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol's UniChem compound ID is recorded as 1066139[14].
  • (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol's Probes And Drugs ID is recorded as PD062451[15].

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] ↑ . Q2311683. Retrieved . wikidata.org.
  8. [9] ↑ . PubChem. Retrieved . wikidata.org.
  9. [10] ↑ . ChEBI. Retrieved . wikidata.org.
  10. [11] ↑ . PubChem. Retrieved . wikidata.org.
  11. [12] ↑ . PubChem. Retrieved . wikidata.org.
  12. [13] ↑ . wikidata.org.
  13. [14] ↑ . UniChem. wikidata.org.
  14. [15] ↑ . 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). (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol. Retrieved May 3, 2026, from https://4ort.xyz/entity/-4r-4as-7s-12bs-3-cyclobutylmethyl-1-2-4-5-6-7-7a-13-octahydro-4-12-methanobenzofuro-3-2-e-isoquinoline-4a-7-9-triol
MLA “(4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/-4r-4as-7s-12bs-3-cyclobutylmethyl-1-2-4-5-6-7-7a-13-octahydro-4-12-methanobenzofuro-3-2-e-isoquinoline-4a-7-9-triol.
BibTeX @misc{4ortxyz_-4r-4as-7s-12bs-3-cyclobutylmethyl-1-2-4-5-6-7-7a-13-octahydro-4-12-methanobenzofuro-3-2-e-isoquinoline-4a-7-9-triol_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{(4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol}}, year = {2026}, url = {https://4ort.xyz/entity/-4r-4as-7s-12bs-3-cyclobutylmethyl-1-2-4-5-6-7-7a-13-octahydro-4-12-methanobenzofuro-3-2-e-isoquinoline-4a-7-9-triol}, note = {Accessed: 2026-05-03}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): (4R,4aS,7S,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol — https://4ort.xyz/entity/-4r-4as-7s-12bs-3-cyclobutylmethyl-1-2-4-5-6-7-7a-13-octahydro-4-12-methanobenzofuro-3-2-e-isoquinoline-4a-7-9-triol (retrieved 2026-05-03)

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