Search MNXref
 Feedback

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

PropertiesImage
MNX_IDMNXM115044 Image of MNXM115044
referencechebi:175727
formulaC30H48O4
global charge0
mol weight472.71
InChIKeyWCKMOTWOWWZGCU-WSVATBPTSA-N
InChIInChI=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-
SMILESC/C(=C/CC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(=O)O
MNX internals
InChI (mnx)InChI=1/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-/t19?,20?,21?,22?,23?,24?,27?,28?,29?,30? Image of MNXM115044
SMILES (mnx)[CH3:1]/[C:18](=[CH:7]/[CH2:8][CH:21]([CH:19]([CH3:2])[CH:20]1[CH2:11][CH2:13][C:28]2([CH3:6])[CH:23]3[CH2:10][CH2:9][CH:22]4[C:26]([CH3:3])([CH3:4])[CH:24]([OH:32])[CH2:12][CH2:14][C:29]45[CH2:17][C:30]35[CH2:16][CH2:15][C:27]12[CH3:5])[OH:31])[C:25](=[O:33])[OH:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175727
chebi:175727
WCKMOTWOWWZGCU-WSVATBPTSA-N 		(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
WCKMOTWOWWZGCU-WSVATBPTSA-N 		(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