ent-cassa-12,15-dien-3beta-ol

Properties Image MNX_ID MNXM125262 reference metacycM:CPD-16689 formula C20H32O global charge 0 mol weight 288.475 InChIKey BHRUCLDHUXEJQR-BOXOZTEYSA-N InChI InChI=1S/C20H32O/c1-6-14-7-9-16-15(13(14)2)8-10-17-19(3,4)18(21)11-12-20(16,17)5/h6-7,13,15-18,21H,1,8-12H2,2-5H3/t13-,15-,16-,17?,18-,20+/m1/s1 SMILES C=CC1=CC[C@@H]2[C@H](CCC3C(C)(C)[C@H](O)CC[C@]32C)[C@@H]1C MNX internals InChI (mnx) InChI=1/C20H32O/c1-6-14-7-9-16-15(13(14)2)8-10-17-19(3,4)18(21)11-12-20(16,17)5/h6-7,13,15-18,21H,1,8-12H2,2-5H3/t13-,15-,16-,17?,18-,20+/m1/s1 SMILES (mnx) [CH2:1]=[CH:6][C:14]1=[CH:7][CH2:9][C@@H:16]2[C@H:15]([CH2:8][CH2:10][CH:17]3[C:19]([CH3:3])([CH3:4])[C@H:18]([OH:21])[CH2:11][CH2:12][C@@:20]23[CH3:5])[C@@H:13]1[CH3:2]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0