11-deoxoglycyrrhetinate

Chemical Formula:

C₃₀H₄₈O₃

Molecular Weight:

456.707 Daltons

Monoisotopic Mass:

456.3603454071 Daltons

SMILES:

CC4(C)(C3(CCC2(C)(C1(C)(CCC5([CH](C1=CCC2C(C)3CCC(O)4)CC(C(O)=O)(C)CC5)C))))

InChI:

1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22?,23-,26+,27-,28-,29+,30+/m0/s1

InChIKey:

JZFSMVXQUWRSIW-YHSIJDKQSA-N

Synonyms

11-deoxoglycyrrhetinic acid

Databases

MetaCyc: CPD-14486

PubChem (CID): 59458344

HMDB: HMDB35775

MetaNetX: MNXM97372