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PUBCHEM_45027863

chemical compound
ChemicalSubstance group_of_stereoisomers Q82578707
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PUBCHEM_45027863

Summary

PUBCHEM_45027863 is a group of stereoisomers[1].

Key Facts

  • PUBCHEM_45027863's instance of is recorded as group of stereoisomers[2].
  • PUBCHEM_45027863's CAS Registry Number is recorded as 64597-22-4[3].
  • PUBCHEM_45027863's canonical SMILES is recorded as COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1(O)CC(OC(=O)C=Cc1ccc(O)cc1)C2(C)O[4].
  • PUBCHEM_45027863's InChI is recorded as InChI=1S/C26H32O14/c1-25(34)16(39-17(29)8-5-12-3-6-13(28)7-4-12)9-26(35)14(22(33)36-2)11-37-24(21(25)26)40-23-20(32)19(31)18(30)15(10-27)38-23/h3-8,11,15-16,18-21,23-24,27-28,30-32,34-35H,9-10H2,1-2H3/b8-5+/t15-,16+,18-,19+,20-,21-,23+,24?,25+,26+/m1/s1[5].
  • PUBCHEM_45027863's InChIKey is recorded as NQXDDVZOWBZZHN-LWLVMUBZSA-N[6].
  • PUBCHEM_45027863's chemical formula is recorded as C₂₆H₃₂O₁₄[7].
  • PUBCHEM_45027863's subclass of is recorded as chemical compound[8].
  • PUBCHEM_45027863's PubChem CID is recorded as 45027863[9].
  • PUBCHEM_45027863's ChEBI ID is recorded as 189515[10].
  • PUBCHEM_45027863's isomeric SMILES is recorded as COC(=O)C1=COC(O[C@@H]2OC@HC@@HC@H[C@H]2O)[C@@H]2C@@(O)C@@HC[C@]12OC@HC@@HC@H[C@H]2O)[C@@H]2C@@(O)C@@HC[C@]12O">[11].
  • PUBCHEM_45027863's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+568.1792057039999'}[12].
  • PUBCHEM_45027863's NSC number is recorded as 729642[13].
  • PUBCHEM_45027863's DSSTox substance ID is recorded as DTXSID60661616[14].
  • PUBCHEM_45027863's DSSTOX compound identifier is recorded as DTXCID60612365[15].
  • PUBCHEM_45027863's UniChem compound ID is recorded as 52096709[16].

References

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

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.
  2. [3] ↑ . wikidata.org.
  3. [4] ↑ . wikidata.org.
  4. [5] ↑ . wikidata.org.
  5. [6] ↑ . wikidata.org.
  6. [7] ↑ . wikidata.org.
  7. [8] ↑ . wikidata.org.
  8. [9] ↑ . PubChem. Retrieved . wikidata.org.
  9. [10] ↑ . ChEBI release 2022-06-13. wikidata.org.
  10. [11] ↑ . wikidata.org.
  11. [12] ↑ . wikidata.org.
  12. [13] ↑ . wikidata.org.
  13. [14] ↑ . wikidata.org.
  14. [15] ↑ . wikidata.org.
  15. [16] ↑ . UniChem. wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

📑 Cite this page

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). PUBCHEM_45027863. Retrieved May 3, 2026, from https://4ort.xyz/entity/pubchem-45027863
MLA “PUBCHEM_45027863.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/pubchem-45027863.
BibTeX @misc{4ortxyz_pubchem-45027863_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{PUBCHEM_45027863}}, year = {2026}, url = {https://4ort.xyz/entity/pubchem-45027863}, note = {Accessed: 2026-05-03}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): PUBCHEM_45027863 — https://4ort.xyz/entity/pubchem-45027863 (retrieved 2026-05-03)

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