Acetylursolic acid

Properties Image MNX_ID MNXM118789 reference chebi:175831 formula C32H50O4 global charge 0 mol weight 498.748 InChIKey PHFUCJXOLZAQNH-OTMOLZNZSA-N InChI InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1 SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C MNX internals InChI (mnx) InChI=1/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:11][CH2:16][C@:32]2([C:27](=[O:34])[OH:35])[CH2:18][CH2:17][C@:30]3([CH3:7])[C:22](=[CH:9][CH2:10][C@@H:24]4[C@@:29]5([CH3:6])[CH2:14][CH2:13][C@H:25]([O:36][C:21]([CH3:3])=[O:33])[C:28]([CH3:4])([CH3:5])[C@@H:23]5[CH2:12][CH2:15][C@:31]43[CH3:8])[C@@H:26]2[C@H:20]1[CH3:2]

Parent-child relations graph

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