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3alpha-Corosolic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM117642

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

formula

C₃₀H₄₈O₄

charge

mass

472.35526

reference

chebi:175734

InChIKey

CAQINDLNYJDVHH-UHFFFAOYSA-N

InChI

InChI=1S/C30H48O4/c1-17-10-12-26(3)14-15-28(5)19(23(26)18(17)2)8-9-21-27(4)16-20(31)24(32)30(7,25(33)34)22(27)11-13-29(21,28)6/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)

SMILES

CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175734 chebi:175734	3alpha-Corosolic acid 2,3-dihydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
hmdb:HMDB0041043	3alpha-Corosolic acid (2a,3a)-Dihydroxy-12-ursen-24-Oate 2,3-Dihydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylate 2,3-dihydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid 2,3-dihydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid 3a-Corosolate 3a-Corosolic acid 3alpha-Corosolate 3alpha-corosolate 3alpha-corosolic acid
hmdb:HMDB41043	secondary/obsolete/fantasy identifier