(1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene

Properties Image MNX_ID MNXM100937 reference chebi:69957 formula C22H36O3 global charge 0 mol weight 348.527 InChIKey QPIUBKNTZMBLLI-ASFQSAAXSA-N InChI InChI=1S/C22H36O3/c1-15-8-7-9-16(2)14-19(25-17(3)23)20-18(21(4,5)24)11-13-22(20,6)12-10-15/h9-10,12,15,18-20,24H,7-8,11,13-14H2,1-6H3/b12-10+,16-9+/t15-,18-,19+,20-,22+/m1/s1 SMILES CC(=O)O[C@H]1C/C(C)=C/CC[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 MNX internals InChI (mnx) InChI=1/C22H36O3/c1-15-8-7-9-16(2)14-19(25-17(3)23)20-18(21(4,5)24)11-13-22(20,6)12-10-15/h9-10,12,15,18-20,24H,7-8,11,13-14H2,1-6H3/b12-10+,16-9+/t15-,18-,19+,20-,22+/m1/s1 SMILES (mnx) [CH3:1][C@@H:15]1[CH2:8][CH2:7]/[CH:9]=[C:16](\[CH3:2])[CH2:14][C@H:19]([O:25][C:17]([CH3:3])=[O:23])[C@H:20]2[C@H:18]([C:21]([CH3:4])([CH3:5])[OH:24])[CH2:11][CH2:13][C@:22]2([CH3:6])/[CH:12]=[CH:10]/1

Parent-child relations graph

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