FComEx: Oleanolic acid (PC001100)

Record Information

Version

1.0

Creation date

2018-04-10 12:21:37 UTC

Update date

2018-04-17 12:38:55 UTC

FoodComEx ID

PC001100

FoodDB Record

FDB013034

Chemical Information

Name

Oleanolic acid

Description

Naturally occurring triterpenoid, widely distributed in food and medicinal plants, related to betulinic acid.

CAS Number

508-02-1

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(+)-Oleanolic acid	manual
(3-beta)-3-Hydroxyolean-12-en-28-oate	biospider
(3-beta)-3-Hydroxyolean-12-en-28-oic acid	biospider
(3.beta.)-3-beta-hydroxy-olean-12-en-28-Oate	HMDB
(3.beta.)-3-beta-hydroxy-olean-12-en-28-Oic acid	HMDB
(3.beta.)-3-hydroxy-olean-12-en-28-Oate	HMDB
(3.beta.)-3-hydroxy-olean-12-en-28-Oic acid	HMDB
(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	HMDB
3-beta-Hydroxyolean-12-en-28-oate	biospider
3-beta-Hydroxyolean-12-en-28-oic acid	biospider
3.beta.-hydroxy-olean-12-en-28-Oate	HMDB
3.beta.-hydroxy-olean-12-en-28-Oic acid	HMDB
3b-Hydroxyolean-12-en-28-Oate	Generator
3b-Hydroxyolean-12-en-28-Oic acid	Generator
3beta-Hydroxy-olean-12-en-28-Oate	HMDB
3beta-Hydroxy-olean-12-en-28-Oic acid	HMDB
3beta-Hydroxyolean-12-en-28-Oate	Generator
3beta-Hydroxyolean-12-en-28-Oic acid	ChEBI
3β-hydroxyolean-12-en-28-Oate	Generator
3β-hydroxyolean-12-en-28-Oic acid	Generator
Astrantiagenin C	db_source
Caryophyllin	db_source
Giganteumgenin C	db_source
Gledigenin 1	db_source
Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI)	biospider
Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-	biospider
Olean-12-en-28-oic acid, 3-hydroxy-, (3β)-	biospider
Olean-12-en-28-oic acid, 3β-hydroxy-	biospider
Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI)	biospider
Oleanate	Generator
Oleanic acid	db_source
Oleanolic acid	db_source
Virgaureagenin B	db_source

Chemical Formula

C30H48O3

IUPAC name

(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

InChI Identifier

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

Isomeric SMILES

CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O

Average Molecular Weight

456.711

Monoisotopic Molecular Weight

456.360345406

Chemical Taxonomy

Class

Terpenoids

Family