ent-11beta-acetoxykaur-16-en-18-ol

Properties Image MNX_ID MNXM104845 reference chebi:69102 formula C22H34O3 global charge 0 mol weight 346.511 InChIKey JQQCJMJWAMYCKT-ANKZGDQGSA-N InChI InChI=1S/C22H34O3/c1-14-11-22-9-6-18-20(3,13-23)7-5-8-21(18,4)19(22)17(25-15(2)24)10-16(14)12-22/h16-19,23H,1,5-13H2,2-4H3/t16-,17-,18+,19-,20+,21+,22+/m0/s1 SMILES C=C1C[C@@]23CC[C@@H]4[C@@](C)(CO)CCC[C@@]4(C)[C@@H]2[C@@H](OC(C)=O)C[C@H]1C3 MNX internals InChI (mnx) InChI=1/C22H34O3/c1-14-11-22-9-6-18-20(3,13-23)7-5-8-21(18,4)19(22)17(25-15(2)24)10-16(14)12-22/h16-19,23H,1,5-13H2,2-4H3/t16-,17-,18+,19-,20+,21+,22+/m0/s1 SMILES (mnx) [CH2:1]=[C:14]1[CH2:11][C@@:22]23[CH2:9][CH2:6][C@@H:18]4[C@@:20]([CH3:3])([CH2:13][OH:23])[CH2:7][CH2:5][CH2:8][C@@:21]4([CH3:4])[C@@H:19]2[C@@H:17]([O:25][C:15]([CH3:2])=[O:24])[CH2:10][C@H:16]1[CH2:12]3

Parent-child relations graph

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