soyasapogenol E
Chemical Formula:
C30H48O3
Molecular Weight:
456.707 Daltons
Monoisotopic Mass:
456.3603454071 Daltons
SMILES:
CC4(C)(C[CH]3(C2(=CC[CH]1(C5(C)([CH](CCC(C)1C(C)2CCC(C)3C(=O)C4)C(CO)(C)C(O)CC5)))))
InChI:
1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,26+,27-,28+,29+,30+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-9482
HMDB:
HMDB34652
KEGG:
C17420
ChEBI:
62444
RefMet:
Soyasapogenol E
MetaNetX:
MNXM6436