alpha-seco-amyrin

Properties Image MNX_ID MNXM5054 reference chebi:63464 formula C30H50O global charge 0 mol weight 426.729 InChIKey BMTRRCREWLAQBX-CHJNBIAGSA-N InChI InChI=1S/C30H50O/c1-19-13-16-29(7)17-14-20(2)23(27(29)22(19)4)10-11-24-21(3)9-12-25-28(5,6)26(31)15-18-30(24,25)8/h9,19,22,24-27,31H,10-18H2,1-8H3/t19-,22+,24+,25+,26+,27+,29-,30-/m1/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)CC[C@@H](C)[C@H](C)[C@@H]12 MNX internals InChI (mnx) InChI=1/C30H50O/c1-19-13-16-29(7)17-14-20(2)23(27(29)22(19)4)10-11-24-21(3)9-12-25-28(5,6)26(31)15-18-30(24,25)8/h9,19,22,24-27,31H,10-18H2,1-8H3/t19-,22+,24+,25+,26+,27+,29-,30-/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:13][CH2:16][C@:29]2([CH3:7])[CH2:17][CH2:14][C:20]([CH3:2])=[C:23]([CH2:10][CH2:11][C@H:24]3[C:21]([CH3:3])=[CH:9][CH2:12][C@H:25]4[C:28]([CH3:5])([CH3:6])[C@@H:26]([OH:31])[CH2:15][CH2:18][C@:30]34[CH3:8])[C@@H:27]2[C@H:22]1[CH3:4]

Parent-child relations graph

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