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(3b,22S,24E)-3,22-Dihydroxycycloart-24-en-26-oic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM115044

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

formula

C₃₀H₄₈O₄

charge

mass

472.35526

reference

chebi:175727

InChIKey

WCKMOTWOWWZGCU-WSVATBPTSA-N

InChI

InChI=1S/C30H48O4/c1-18(25(33)34)7-8-21(31)19(2)20-11-13-28(6)23-10-9-22-26(3,4)24(32)12-14-29(22)17-30(23,29)16-15-27(20,28)5/h7,19-24,31-32H,8-17H2,1-6H3,(H,33,34)/b18-7-

SMILES

C/C(=C/CC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175727 chebi:175727	(3b,22S,24E)-3,22-Dihydroxycycloart-24-en-26-oic acid (Z)-5-hydroxy-6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid
hmdb:HMDB0036063	(3b,22S,24E)-3,22-Dihydroxycycloart-24-en-26-oic acid (2Z)-5-Hydroxy-6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylhept-2-enoate (2Z)-5-hydroxy-6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylhept-2-enoic acid (3b,22S,24E)-3,22-Dihydroxycycloart-24-en-26-Oate 3,22-Dihydroxycycloart-24-en-26-Oic acid
hmdb:HMDB36063	secondary/obsolete/fantasy identifier