glycyrrhetinate

Chemical Formula:

C₃₀H₄₅O₄

Molecular Weight:

469.683 Daltons

Monoisotopic Mass:

470.33960996499997 Daltons

SMILES:

CC4(C)(C3(CCC2(C)(C1(C)(CCC5([CH](C1=CC(C2C(C)3CCC(O)4)=O)CC(C([O-])=O)(C)CC5)C))))

InChI:

1S/C30H46O4/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/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/p-1/t19-,21?,22-,23?,26+,27-,28-,29+,30+/m0/s1

InChIKey:

MPDGHEJMBKOTSU-VOPRYAMFSA-M

Synonyms

glycyrrhetinic acid
3-β-hydroxyglycyrrhetinate
glycyrrhetin
enoxolone
uralenic acid

Databases

MetaCyc: CPD-14483

PubChem (CID): 90658411

MetaboLights: MTBLC30853

HMDB: HMDB11628

ChEBI: 30853

Wikipedia: Glycyrrhetinic_acid

KEGG: C02283

Seed: cpd01537

MetaNetX: MNXM4003