oleanolate

Chemical Formula:

C₃₀H₄₇O₃

Molecular Weight:

455.699 Daltons

Monoisotopic Mass:

456.3603454071 Daltons

SMILES:

CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])=O)C)5C)(C)C)O)C))))C

InChI:

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

InChIKey:

MIJYXULNPSFWEK-GTOFXWBISA-M

Synonyms

oleanolic acid
oleanic acid
caryophyllin
3β-hydroxyolean-12-en-28-oic acid
oleonolic acid
3β-hydroxyolean-12-en-28-oate

Databases

MetaCyc: CPD-9459

ChEBI: 82828

MetaboLights: MTBLC37659

HMDB: HMDB02364

ChemSpider: 10039737

PubChem (CID): 11865404

Seed: cpd17382

MetaNetX: MNXM20060

KEGG: C17148