Home › Entities › group_of_stereoisomers › (1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one

(1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one

group of stereoisomers with the chemical formula C₂₇H₄₄O₈
ChemicalSubstance group_of_stereoisomers Q105311748
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(1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one

Summary

(1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one is a group of stereoisomers[1].

Key Facts

  • (1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one's instance of is recorded as group of stereoisomers[2].
  • (1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one's canonical SMILES is recorded as O=C1C=C2C(C(O)CC3(C)C(CCC23O)C(O)(C)C(O)CCC(O)(C)C)C4(C)CC(O)C(O)CC14[3].
  • (1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one's InChI is recorded as InChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14-,17+,18-,19+,20-,21+,22+,24-,25+,26+,27?/m0/s1[4].
  • (1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one's InChIKey is recorded as WSBAGDDNVWTLOM-RFIWWIQOSA-N[5].
  • (1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one's chemical formula is recorded as C₂₇H₄₄O₈[6].
  • (1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one's subclass of is recorded as cholestane steroid[7].
  • (1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one's PubChem CID is recorded as 162467[8].
  • (1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one's isomeric SMILES is recorded as CC(C)(O)CCC@@HC@(O)[C@H]1CCC2(O)C3=CC(=O)[C@@H]4CC@@HC@@HC[C@]4(C)[C@H]3C@HC[C@]12C[9].
  • (1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+496.3036183679999'}[10].
  • (1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one's SureChEMBL ID is recorded as 29041266[11].

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] ↑ . wikidata.org.
  9. [10] ↑ . wikidata.org.
  10. [11] ↑ . 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). (1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one. Retrieved May 3, 2026, from https://4ort.xyz/entity/-1s-5ar-7r-8s-9ar-9br-10r-11ar-3a-7-8-10-tetrahydroxy-9a-11a-dimethyl-1-2r-3r-2-3-6-trihydroxy-6-methylheptan-2-yl-1h-2h-3h-5ah-6h-7h-8h-9h-9bh-10h-11h-cyclopenta-a-phenanthren-5-one
MLA “(1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/-1s-5ar-7r-8s-9ar-9br-10r-11ar-3a-7-8-10-tetrahydroxy-9a-11a-dimethyl-1-2r-3r-2-3-6-trihydroxy-6-methylheptan-2-yl-1h-2h-3h-5ah-6h-7h-8h-9h-9bh-10h-11h-cyclopenta-a-phenanthren-5-one.
BibTeX @misc{4ortxyz_-1s-5ar-7r-8s-9ar-9br-10r-11ar-3a-7-8-10-tetrahydroxy-9a-11a-dimethyl-1-2r-3r-2-3-6-trihydroxy-6-methylheptan-2-yl-1h-2h-3h-5ah-6h-7h-8h-9h-9bh-10h-11h-cyclopenta-a-phenanthren-5-one_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{(1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one}}, year = {2026}, url = {https://4ort.xyz/entity/-1s-5ar-7r-8s-9ar-9br-10r-11ar-3a-7-8-10-tetrahydroxy-9a-11a-dimethyl-1-2r-3r-2-3-6-trihydroxy-6-methylheptan-2-yl-1h-2h-3h-5ah-6h-7h-8h-9h-9bh-10h-11h-cyclopenta-a-phenanthren-5-one}, note = {Accessed: 2026-05-03}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): (1S,5aR,7R,8S,9aR,9bR,10R,11aR)-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one — https://4ort.xyz/entity/-1s-5ar-7r-8s-9ar-9br-10r-11ar-3a-7-8-10-tetrahydroxy-9a-11a-dimethyl-1-2r-3r-2-3-6-trihydroxy-6-methylheptan-2-yl-1h-2h-3h-5ah-6h-7h-8h-9h-9bh-10h-11h-cyclopenta-a-phenanthren-5-one (retrieved 2026-05-03)

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