[(3S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Molecular Formula:
C38H63NO9
InChI: InChI=1/C38H63NO9/c1-21(2)8-7-9-22(3)27-12-13-28-26-11-10-24-18-25(14-16-36(24,5)29(26)15-17-37(27,28)6)47-35(45)38(46)19-30(42)32(39-23(4)41)34(48-38)33(44)31(43)20-40/h10,21-22,25-34,40,42-44,46H,7-9,11-20H2,1-6H3,(H,39,41)/t22-,25+,26u,27-,28+,29+,30+,31-,32-,33-,34-,36+,37-,38+/m1/s1/f/h39H
InChIKey: InChIKey=SUBZNWUCKQTMGX-WNGFHOMPDF
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)O)C)C
Names:
[(3S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Registries:
PubChem CID 10417115
PubChem ID 15434784
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