beta-seco-amyrin

Properties Image MNX_ID MNXM5075 reference chebi:63466 formula C30H50O global charge 0 mol weight 426.729 InChIKey BVMWOSNBDNNUBA-NBANTFJXSA-N InChI InChI=1S/C30H50O/c1-20-13-15-29(7)18-17-27(3,4)19-24(29)22(20)10-11-23-21(2)9-12-25-28(5,6)26(31)14-16-30(23,25)8/h9,23-26,31H,10-19H2,1-8H3/t23-,24-,25-,26-,29-,30+/m0/s1 SMILES CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 MNX internals InChI (mnx) InChI=1/C30H50O/c1-20-13-15-29(7)18-17-27(3,4)19-24(29)22(20)10-11-23-21(2)9-12-25-28(5,6)26(31)14-16-30(23,25)8/h9,23-26,31H,10-19H2,1-8H3/t23-,24-,25-,26-,29-,30+/m0/s1 SMILES (mnx) [CH3:1][C:20]1=[C:22]([CH2:10][CH2:11][C@H:23]2[C:21]([CH3:2])=[CH:9][CH2:12][C@H:25]3[C:28]([CH3:5])([CH3:6])[C@@H:26]([OH:31])[CH2:14][CH2:16][C@:30]23[CH3:8])[C@@H:24]2[CH2:19][C:27]([CH3:3])([CH3:4])[CH2:17][CH2:18][C@:29]2([CH3:7])[CH2:15][CH2:13]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1