(13E)-labdene-8alpha,15-diol

Properties Image MNX_ID MNXM527838 reference metacycM:CPD-18878 formula C20H36O2 global charge 0 mol weight 308.506 InChIKey LEOHDQKUMQKLMP-YHOUDPESSA-N InChI InChI=1S/C20H36O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10+/t16?,17-,19+,20-/m1/s1 SMILES C/C(=C\CO)CC[C@@H]1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O MNX internals InChI (mnx) InChI=1/C20H36O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10+/t16?,17-,19+,20-/m1/s1 SMILES (mnx) [CH3:1]/[C:15]([CH2:7][CH2:8][C@@H: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])=[CH:10]\[CH2:14][OH:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0