taxa-4(20),11-dien-5alpha-yl acetate

Properties Image MNX_ID MNXM1951 reference chebi:30042 formula C22H34O2 global charge 0 mol weight 330.512 InChIKey APIZAZFFQBVSJA-ZJDLJICXSA-N InChI InChI=1S/C22H34O2/c1-14-7-8-17-13-19-15(2)20(24-16(3)23)10-12-22(19,6)11-9-18(14)21(17,4)5/h17,19-20H,2,7-13H2,1,3-6H3/t17-,19+,20-,22+/m0/s1 SMILES C=C1[C@@H](OC(C)=O)CC[C@@]2(C)CCC3=C(C)CC[C@@H](C[C@H]12)C3(C)C MNX internals InChI (mnx) InChI=1/C22H34O2/c1-14-7-8-17-13-19-15(2)20(24-16(3)23)10-12-22(19,6)11-9-18(14)21(17,4)5/h17,19-20H,2,7-13H2,1,3-6H3/t17-,19+,20-,22+/m0/s1 SMILES (mnx) [CH3:1][C:14]1=[C:18]2[CH2:9][CH2:11][C@:22]3([CH3:6])[CH2:12][CH2:10][C@H:20]([O:24][C:16]([CH3:3])=[O:23])[C:15](=[CH2:2])[C@H:19]3[CH2:13][C@H:17]([CH2:8][CH2:7]1)[C:21]2([CH3:4])[CH3:5]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0