labd-13-en-8alpha-,15 diol

Properties Image MNX_ID MNXM18977 reference metacycM:CPD-12746 formula C20H38O2 global charge 0 mol weight 310.522 InChIKey MCHQEVJMCLOQAZ-YXAMPDCWSA-N InChI InChI=1S/C20H38O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h15-17,21-22H,6-14H2,1-5H3/t15?,16?,17?,19-,20+/m0/s1 SMILES CC(CCO)CCC1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O MNX internals InChI (mnx) InChI=1/C20H38O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h15-17,21-22H,6-14H2,1-5H3/t15?,16?,17?,19-,20+/m0/s1 SMILES (mnx) [CH3:1][CH:15]([CH2:7][CH2:8][CH:17]1[C@@:19]2([CH3:4])[CH2:12][CH2:6][CH2:11][C:18]([CH3:2])([CH3:3])[CH:16]2[CH2:9][CH2:13][C@@:20]1([CH3:5])[OH:22])[CH2:10][CH2:14][OH:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0