10beta-hydroxytaxa-4(20),11-dien-5alpha-yl acetate

Properties Image MNX_ID MNXM1618 reference chebi:50436 formula C22H34O3 global charge 0 mol weight 346.511 InChIKey BMPKIAPYMZISRD-PQTWGXLHSA-N InChI InChI=1S/C22H34O3/c1-13-7-8-16-11-17-14(2)19(25-15(3)23)9-10-22(17,6)12-18(24)20(13)21(16,4)5/h16-19,24H,2,7-12H2,1,3-6H3/t16-,17+,18-,19-,22-/m0/s1 SMILES C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](O)C3=C(C)CC[C@@H](C[C@H]12)C3(C)C MNX internals InChI (mnx) InChI=1/C22H34O3/c1-13-7-8-16-11-17-14(2)19(25-15(3)23)9-10-22(17,6)12-18(24)20(13)21(16,4)5/h16-19,24H,2,7-12H2,1,3-6H3/t16-,17+,18-,19-,22-/m0/s1 SMILES (mnx) [CH3:1][C:13]1=[C:20]2[C@@H:18]([OH:24])[CH2:12][C@:22]3([CH3:6])[CH2:10][CH2:9][C@H:19]([O:25][C:15]([CH3:3])=[O:23])[C:14](=[CH2:2])[C@H:17]3[CH2:11][C@H:16]([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) 9 in models (compartimentalized) 0