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(3beta,19alpha)-3,19,23,24-Tetrahydroxy-12-oleanen-28-oic acid

PropertiesImage
MNX_IDMNXM115072 Image of MNXM115072
referencechebi:190004
formulaC30H48O6
global charge0
mol weight504.708
InChIKeySWKIMTSJFCDAEL-UHFFFAOYSA-N
InChIInChI=1S/C30H48O6/c1-25(2)12-14-29(24(35)36)15-13-27(4)18(22(29)23(25)34)6-7-19-26(3)10-9-21(33)30(16-31,17-32)20(26)8-11-28(19,27)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)
SMILESCC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(CO)(CO)C5CCC43C)C2C1O
MNX internals
InChI (mnx)InChI=1/C30H48O6/c1-25(2)12-14-29(24(35)36)15-13-27(4)18(22(29)23(25)34)6-7-19-26(3)10-9-21(33)30(16-31,17-32)20(26)8-11-28(19,27)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)/t19?,20?,21?,22?,23?,26?,27?,28?,29? Image of MNXM115072
SMILES (mnx)[CH3:1][C:25]1([CH3:2])[CH2:12][CH2:14][C:29]2([C:24](=[O:35])[OH:36])[CH2:15][CH2:13][C:27]3([CH3:4])[C:18](=[CH:6][CH2:7][CH:19]4[C:26]5([CH3:3])[CH2:10][CH2:9][CH:21]([OH:33])[C:30]([CH2:16][OH:31])([CH2:17][OH:32])[CH:20]5[CH2:8][CH2:11][C:28]43[CH3:5])[CH:22]2[CH:23]1[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:190004
chebi:190004
SWKIMTSJFCDAEL-UHFFFAOYSA-N 		(3beta,19alpha)-3,19,23,24-Tetrahydroxy-12-oleanen-28-oic acid
1,10-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
hmdb:HMDB0040784
SWKIMTSJFCDAEL-UHFFFAOYSA-N 		(3beta,19alpha)-3,19,23,24-Tetrahydroxy-12-oleanen-28-oic acid
(3b,19a)-3,19,23,24-Tetrahydroxy-12-oleanen-28-Oate
(3b,19a)-3,19,23,24-Tetrahydroxy-12-oleanen-28-Oic acid
(3beta,19alpha)-3,19,23,24-Tetrahydroxy-12-oleanen-28-Oate
(3beta,19alpha)-3,19,23,24-tetrahydroxy-12-oleanen-28-Oate
(3beta,19alpha)-3,19,23,24-tetrahydroxy-12-oleanen-28-Oic acid
1,10-Dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
1,10-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
1,10-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

hmdb:HMDB40784 		secondary/obsolete/fantasy identifier