3-oxoglycyrrhetinate
Chemical Formula:
C30H43O4
Molecular Weight:
467.667 Daltons
Monoisotopic Mass:
468.3239599008 Daltons
SMILES:
CC5(C(CCC2(C(CCC3(C)(C4(C)(CCC1(CCC(C)(C([O-])=O)CC1C(=CC(=O)C23)4)(C))))5)(C))=O)(C)
InChI:
1S/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/p-1/t19?,21?,23?,26-,27+,28+,29-,30-/m1/s1
InChIKey:
Databases
MetaCyc:
3-OXOGLYCYRRHETINATE
PubChem (CID):
90657284
ChEBI:
57760
KEGG:
C02943
Seed:
cpd01886
MetaNetX:
MNXM3490