soyasapogenol A
Chemical Formula:
C30H50O4
Molecular Weight:
474.723 Daltons
Monoisotopic Mass:
474.37091009339997 Daltons
SMILES:
CC3(CC4(C2(=CCC5(C1(CCC(C(C1CCC(C2(CCC(C(C(O)3)O)4C)C)5C)(CO)C)O)C))))C
InChI:
1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19?,20?,21?,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-13251
HMDB:
HMDB34505
KEGG:
C17419
ChEBI:
62440
PubChem (CID):
52940190
Seed:
cpd17550
MetaNetX:
MNXM7778