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20beta-Hydroxyursolic acid

PropertiesImage
MNX_IDMNXM117044 Image of MNXM117044
referencechebi:168033
formulaC30H48O4
global charge0
mol weight472.71
InChIKeyURJPXMKINYSFCX-SXACIEJDSA-N
InChIInChI=1S/C30H48O4/c1-18-23-19-8-9-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,6)27(19,5)14-16-30(23,24(32)33)17-15-29(18,7)34/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23+,26+,27-,28-,29+,30-/m1/s1
SMILESC[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@]1(C)O
MNX internals
InChI (mnx)InChI=1/C30H48O4/c1-18-23-19-8-9-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,6)27(19,5)14-16-30(23,24(32)33)17-15-29(18,7)34/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23+,26+,27-,28-,29+,30-/m1/s1 Image of MNXM117044
SMILES (mnx)[CH3:1][C@@H:18]1[C@H:23]2[C:19]3=[CH:8][CH2:9][C@@H:21]4[C@@:26]5([CH3:4])[CH2:12][CH2:11][C@H:22]([OH:31])[C:25]([CH3:2])([CH3:3])[C@@H:20]5[CH2:10][CH2:13][C@@:28]4([CH3:6])[C@:27]3([CH3:5])[CH2:14][CH2:16][C@@:30]2([C:24](=[O:32])[OH:33])[CH2:17][CH2:15][C@:29]1([CH3:7])[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:168033
chebi:168033
URJPXMKINYSFCX-SXACIEJDSA-N 		20beta-Hydroxyursolic acid
(1R,2S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
hmdb:HMDB0035107
URJPXMKINYSFCX-UHFFFAOYSA-N 		20beta-Hydroxyursolic acid
2,10-Dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
2,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
2,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
20b-Hydroxyursolate
20b-Hydroxyursolic acid
20beta-Hydroxyursolate
20beta-hydroxyursolate
20beta-hydroxyursolic acid

hmdb:HMDB35107 		secondary/obsolete/fantasy identifier