2alpha-hydroxytaxusin

Properties Image MNX_ID MNXM97388 reference chebi:190505 formula C28H40O9 global charge 0 mol weight 520.619 InChIKey SCJZVZRWMAAWIK-IMWBZJKQSA-N InChI InChI=1S/C28H40O9/c1-13-20(34-15(3)29)10-11-28(9)22(13)24(33)19-12-21(35-16(4)30)14(2)23(27(19,7)8)25(36-17(5)31)26(28)37-18(6)32/h19-22,24-26,33H,1,10-12H2,2-9H3/t19-,20-,21-,22-,24+,25+,26-,28+/m0/s1 SMILES C=C1[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C MNX internals InChI (mnx) InChI=1/C28H40O9/c1-13-20(34-15(3)29)10-11-28(9)22(13)24(33)19-12-21(35-16(4)30)14(2)23(27(19,7)8)25(36-17(5)31)26(28)37-18(6)32/h19-22,24-26,33H,1,10-12H2,2-9H3/t19-,20-,21-,22-,24+,25+,26-,28+/m0/s1 SMILES (mnx) [CH2:1]=[C:13]1[C@@H:20]([O:34][C:15]([CH3:3])=[O:29])[CH2:10][CH2:11][C@:28]2([CH3:9])[C@@H:22]1[C@H:24]([OH:33])[C@@H:19]1[CH2:12][C@H:21]([O:35][C:16]([CH3:4])=[O:30])[C:14]([CH3:2])=[C:23]([C@@H:25]([O:36][C:17]([CH3:5])=[O:31])[C@@H:26]2[O:37][C:18]([CH3:6])=[O:32])[C:27]1([CH3:7])[CH3:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 0