cholesta4,22-dien-3-one
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cholesta4,22-dien-3-one
Summary
cholesta4,22-dien-3-one is a group of stereoisomers[1].
Key Facts
- cholesta4,22-dien-3-one's instance of is recorded as group of stereoisomers[2].
- cholesta4,22-dien-3-one's canonical SMILES is recorded as OC1CCC2(C)C3C(=CCC2C1)C4CCC(C(C)CCC(C)C(C)C)C4(C)CC3[3].
- cholesta4,22-dien-3-one's InChI is recorded as InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3/t19?,20-,21?,22+,24-,25+,26+,27+,28-/m1/s1[4].
- cholesta4,22-dien-3-one's InChIKey is recorded as PUGBZUWUTZUUCP-JYDNDKMDSA-N[5].
- cholesta4,22-dien-3-one's chemical formula is recorded as C₂₈H₄₈O[6].
- cholesta4,22-dien-3-one's subclass of is recorded as (1R,7S,9aS,11aR)-1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-ol[7].
- cholesta4,22-dien-3-one's PubChem CID is recorded as 12308939[8].
- cholesta4,22-dien-3-one's found in taxon is recorded as Senna tora[9].
- cholesta4,22-dien-3-one's isomeric SMILES is recorded as CC(C)C(C)CCC@@H[C@H]1CC[C@H]2C3=CCC4CC@@HCC[C@]4(C)[C@H]3CC[C@]12CC@@H[C@H]1CC[C@H]2C3=CCC4CC@@HCC[C@]4(C)[C@H]3CC[C@]12C">[10].
- cholesta4,22-dien-3-one's KNApSAcK ID is recorded as C00052617[11].
- cholesta4,22-dien-3-one's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+400.370516156'}[12].
- cholesta4,22-dien-3-one's SureChEMBL ID is recorded as 6900565[13].