taxa-4(20),11-dien-5alpha,13alpha-diol

Properties Image MNX_ID MNXM3100 reference chebi:30041 formula C20H32O2 global charge 0 mol weight 304.474 InChIKey VTDWDDILICLAEK-RDGCENLJSA-N InChI InChI=1S/C20H32O2/c1-12-15-6-8-20(5)9-7-17(21)13(2)16(20)10-14(11-18(12)22)19(15,3)4/h14,16-18,21-22H,2,6-11H2,1,3-5H3/t14-,16-,17+,18+,20-/m1/s1 SMILES C=C1[C@H]2C[C@@H]3C[C@H](O)C(C)=C(CC[C@]2(C)CC[C@@H]1O)C3(C)C MNX internals InChI (mnx) InChI=1/C20H32O2/c1-12-15-6-8-20(5)9-7-17(21)13(2)16(20)10-14(11-18(12)22)19(15,3)4/h14,16-18,21-22H,2,6-11H2,1,3-5H3/t14-,16-,17+,18+,20-/m1/s1 SMILES (mnx) [CH3:1][C:12]1=[C:15]2[CH2:6][CH2:8][C@:20]3([CH3:5])[CH2:9][CH2:7][C@H:17]([OH:21])[C:13](=[CH2:2])[C@H:16]3[CH2:10][C@H:14]([CH2:11][C@@H:18]1[OH:22])[C:19]2([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0