(5R)-5-[(3R,5S,7R,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexane-1-sulfonic acid
Molecular Formula:
C25H44O5S
InChI: InChI=1/C25H44O5S/c1-16(6-4-5-13-31(28,29)30)19-7-8-20-23-21(10-12-25(19,20)3)24(2)11-9-18(26)14-17(24)15-22(23)27/h16-23,26-27H,4-15H2,1-3H3,(H,28,29,30)/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25-/m1/s1/f/h28H
InChIKey: InChIKey=IANJIVUFAULQJH-RLTYXVQPDB
SMILES: CC(CCCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
Names:
(5R)-5-[(3R,5S,7R,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexane-1-sulfonic acid
Registries:
PubChem CID 126872
PubChem ID 10241669
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