Oleanolic acid

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Systematic / IUPAC Name: (3β)-3-Hydroxyolean-12-en-28-oic acid

ID: Reference7408

Other Names: Astrantiagenin C;
Caryophyllin;
Giganteumgenin C;
Oleanic acid;
Virgaureagenin B ; more

Formula: C30H48O3

Spectral Data

Oleanolic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 3
No. of Spectra 8330
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/16/2018 1:14:46 PM
View Mass Spec Data > >

Identificators

InChI 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)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
InChI Key MIJYXULNPSFWEK-GTOFXWBISA-N
Canonical SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
CAS 508021
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Other Names Astrantiagenin C;
Caryophyllin;
Giganteumgenin C;
Oleanic acid;
Virgaureagenin B;
(2S,5S,10S,18S,1R,14R,15R,20R)-18-Hydroxy-1,2,8,8,15,19,19-heptamethylpentacyc lo[12.8.0.0.0.0]docos-11-ene-5-carboxylic acid;
(3-β)-3-Hydroxyolean-12-en-28-oate;
(3-β)-3-Hydroxyolean-12-en-28-oic acid;
(4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid;
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid;
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid;
3β-Hydroxy-olean-12-en-28-oate;
3β-Hydroxy-olean-12-en-28-oic acid;
Olean-12-en-28-oic acid, 3β-hydroxy-;
Olean-12-en-28-oic acid, 3-hydroxy-, (3β)-

In Other Databases

ChEBI CHEBI:37659
KEGG C17148
Wikipedia Oleanolic_acid
PubChem 10494
ChemSpider 10062
ChEMBL CHEMBL168
HMDb HMDB02364
ChemIDPlus 000508021