beta-amyrin

Properties Image MNX_ID MNXM1077 reference chebi:10352 formula C30H50O global charge 0 mol weight 426.729 InChIKey JFSHUTJDVKUMTJ-QHPUVITPSA-N InChI InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1 SMILES CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1 SMILES (mnx) [CH3:1][C:25]1([CH3:2])[CH2:15][CH2:16][C@:27]2([CH3:5])[CH2:17][CH2:18][C@:29]3([CH3:7])[C:20](=[CH:9][CH2:10][C@@H:23]4[C@@:28]5([CH3:6])[CH2:13][CH2:12][C@H:24]([OH:31])[C:26]([CH3:3])([CH3:4])[C@@H:22]5[CH2:11][CH2:14][C@:30]43[CH3:8])[C@@H:21]2[CH2:19]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 48 in models (compartimentalized) 2