ent-3beta-hydroxy-cassa-12,15-diene-11-one

Properties Image MNX_ID MNXM116119 reference metacycM:CPD-16675 formula C20H30O2 global charge 0 mol weight 302.458 InChIKey YIBIQGNVXNLHOE-ZIWUNDNJSA-N InChI InChI=1S/C20H30O2/c1-6-13-11-15(21)18-14(12(13)2)7-8-16-19(3,4)17(22)9-10-20(16,18)5/h6,11-12,14,16-18,22H,1,7-10H2,2-5H3/t12-,14?,16-,17-,18+,20-/m1/s1 SMILES C=CC1=CC(=O)[C@@H]2C(CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]23C)[C@@H]1C MNX internals InChI (mnx) InChI=1/C20H30O2/c1-6-13-11-15(21)18-14(12(13)2)7-8-16-19(3,4)17(22)9-10-20(16,18)5/h6,11-12,14,16-18,22H,1,7-10H2,2-5H3/t12-,14?,16-,17-,18+,20-/m1/s1 SMILES (mnx) [CH2:1]=[CH:6][C:13]1=[CH:11][C:15](=[O:21])[C@@H:18]2[CH:14]([CH2:7][CH2:8][C@@H:16]3[C:19]([CH3:3])([CH3:4])[C@H:17]([OH:22])[CH2:9][CH2:10][C@:20]32[CH3:5])[C@@H:12]1[CH3:2]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 0