sophoradiol
Chemical Formula:
C30H50O2
Molecular Weight:
442.724 Daltons
Monoisotopic Mass:
442.3810808492 Daltons
SMILES:
CC3(CC4(C2(=CCC5(C1(CCC(C(C1CCC(C2(CCC(C(C3)O)4C)C)5C)(C)C)O)C))))C
InChI:
1S/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-24,31-32H,10-18H2,1-8H3/t20?,21?,22?,23-,24+,27+,28-,29+,30+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-7609
ChEBI:
62458
ChemSpider:
110562
PubChem (CID):
124061
Seed:
cpd20980
MetaNetX:
MNXM4826
KEGG:
C19733