sodium (3S,5S,6R,8S,9S,10R,13R,14S,17R)-5,6-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-sulfonatooxy-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
Molecular Formula:
C27H47NaO6S
InChI: InChI=1/C27H48O6S.Na/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27(29)16-19(33-34(30,31)32)11-14-26(27,5)23(20)12-13-25(21,22)4;/h17-24,28-29H,6-16H2,1-5H3,(H,30,31,32);/q;+1/p-1/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+;/m1./s1/fC27H47O6S.Na/q-1;m
InChIKey: InChIKey=OQTUEOGLQOLWTB-JLMOQAIZDI
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)OS(=O)(=O)[O-])C)O)O)C.[Na+]
Names:
sodium (3S,5S,6R,8S,9S,10R,13R,14S,17R)-5,6-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-sulfonatooxy-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
Registries:
PubChem CID 112085
PubChem ID 10235690
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