entkaurane-3beta,16beta-diol

Properties Image MNX_ID MNXM104855 reference chebi:70381 formula C20H34O2 global charge 0 mol weight 306.49 InChIKey VUJZEWLGPXJQEB-GVUXFJDWSA-N InChI InChI=1S/C20H34O2/c1-17(2)14-7-10-20-11-13(19(4,22)12-20)5-6-15(20)18(14,3)9-8-16(17)21/h13-16,21-22H,5-12H2,1-4H3/t13-,14-,15+,16+,18-,19-,20+/m1/s1 SMILES CC1(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC[C@@H]1O)[C@](C)(O)C4 MNX internals InChI (mnx) InChI=1/C20H34O2/c1-17(2)14-7-10-20-11-13(19(4,22)12-20)5-6-15(20)18(14,3)9-8-16(17)21/h13-16,21-22H,5-12H2,1-4H3/t13-,14-,15+,16+,18-,19-,20+/m1/s1 SMILES (mnx) [CH3:1][C:17]1([CH3:2])[C@H:14]2[CH2:7][CH2:10][C@@:20]34[CH2:11][C@@H:13]([CH2:5][CH2:6][C@H:15]3[C@:18]2([CH3:3])[CH2:9][CH2:8][C@@H:16]1[OH:21])[C@:19]([CH3:4])([OH:22])[CH2:12]4

Parent-child relations graph

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