3-[dimethyl-[3-[4-[(3R,7R,9S,12S,14S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]propyl]ammonio]propane-1-sulfonate
Molecular Formula:
C32H58N2O7S
InChI: InChI=1/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21u,22u,23-,24u,25u,26+,27-,28+,30?,31u,32u/m1/s1/f/h33H
InChIKey: InChIKey=UMCMPZBLKLEWAF-YCIYSNRZDN
SMILES: CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Names:
3-[dimethyl-[3-[4-[(3R,7R,9S,12S,14S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]propyl]ammonio]propane-1-sulfonate
Registries:
PubChem CID 10371606
PubChem ID 15385185
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