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3beta-3,24-Dihydroxy-9(11),12-oleanadien-30-oic acid

PropertiesImage
MNX_IDMNXM117664 Image of MNXM117664
referencechebi:190344
formulaC30H46O4
global charge0
mol weight470.694
InChIKeyDHANXHHFIWKYCW-UHFFFAOYSA-N
InChIInChI=1S/C30H46O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7-8,20-21,23,31-32H,9-18H2,1-6H3,(H,33,34)
SMILESCC1(C(=O)O)CCC2(C)CCC3(C)C(=CC=C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
MNX internals
InChI (mnx)InChI=1/C30H46O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7-8,20-21,23,31-32H,9-18H2,1-6H3,(H,33,34)/t20?,21?,23?,25?,26?,27?,28?,29?,30? Image of MNXM117664
SMILES (mnx)[CH3:1][C:25]12[CH2:13][CH2:14][C:26]([CH3:2])([C:24](=[O:33])[OH:34])[CH2:17][CH:20]1[C:19]1=[CH:7][CH:8]=[C:22]3[C:27]4([CH3:3])[CH2:11][CH2:10][CH:23]([OH:32])[C:28]([CH3:4])([CH2:18][OH:31])[CH:21]4[CH2:9][CH2:12][C:30]3([CH3:6])[C:29]1([CH3:5])[CH2:16][CH2:15]2
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:190344
chebi:190344
DHANXHHFIWKYCW-UHFFFAOYSA-N 		3beta-3,24-Dihydroxy-9(11),12-oleanadien-30-oic acid
10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-2-carboxylic acid
hmdb:HMDB0035252
DHANXHHFIWKYCW-UHFFFAOYSA-N 		3beta-3,24-Dihydroxy-9(11),12-oleanadien-30-oic acid
10-Hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14b-octadecahydropicene-2-carboxylate
10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14b-octadecahydropicene-2-carboxylic acid
10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-2-carboxylic acid
3b-3,24-Dihydroxy-9(11),12-oleanadien-30-Oate
3b-3,24-Dihydroxy-9(11),12-oleanadien-30-Oic acid
3beta-3,24-Dihydroxy-9(11),12-oleanadien-30-Oate
3beta-3,24-dihydroxy-9(11),12-oleanadien-30-Oate
3beta-3,24-dihydroxy-9(11),12-oleanadien-30-Oic acid

hmdb:HMDB35252 		secondary/obsolete/fantasy identifier