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3-epioleanolic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM101826

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₀H₄₈O₃

charge

mass

456.36035

reference

chebi:68103

InChIKey

MIJYXULNPSFWEK-KDQGZELNSA-N

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

SMILES

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68103 chebi:68103	3-epioleanolic acid (3alpha)-3-hydroxyolean-12-en-28-oic acid
lipidmaps:LMPR0106150020 lipidmapsM:LMPR0106150020	3-Epioleanolic acid (20R)-3alpha-Hydroxyolean-12-en-28-oic acid
hmdb:HMDB0036962	3-Epioleanolic acid (4aS,6aS,6bR,8aR,10R,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,10R,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid 3-Epioleanolate 3-alpha-Hydroxyolean-12-en-28-Oate 3-alpha-Hydroxyolean-12-en-28-Oic acid Epi-oleanolate Epi-oleanolic acid
hmdb:HMDB36962	secondary/obsolete/fantasy identifier