7beta-hydroxytaxusin

Properties Image MNX_ID MNXM5583 reference chebi:63665 formula C28H40O9 global charge 0 mol weight 520.619 InChIKey CNURLWAZNDLNMK-CNZAUHOSSA-N InChI InChI=1S/C28H40O9/c1-13-20-10-19-11-21(34-15(3)29)14(2)24(27(19,7)8)25(36-17(5)31)26(37-18(6)32)28(20,9)23(33)12-22(13)35-16(4)30/h19-23,25-26,33H,1,10-12H2,2-9H3/t19-,20-,21+,22+,23+,25-,26+,28+/m1/s1 SMILES C=C1[C@@H](OC(C)=O)C[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C MNX internals InChI (mnx) InChI=1/C28H40O9/c1-13-20-10-19-11-21(34-15(3)29)14(2)24(27(19,7)8)25(36-17(5)31)26(37-18(6)32)28(20,9)23(33)12-22(13)35-16(4)30/h19-23,25-26,33H,1,10-12H2,2-9H3/t19-,20-,21+,22+,23+,25-,26+,28+/m1/s1 SMILES (mnx) [CH2:1]=[C:13]1[C@H:20]2[CH2:10][C@@H:19]3[CH2:11][C@H:21]([O:34][C:15]([CH3:3])=[O:29])[C:14]([CH3:2])=[C:24]([C@@H:25]([O:36][C:17]([CH3:5])=[O:31])[C@H:26]([O:37][C:18]([CH3:6])=[O:32])[C@:28]2([CH3:9])[C@@H:23]([OH:33])[CH2:12][C@@H:22]1[O:35][C:16]([CH3:4])=[O:30])[C:27]3([CH3:7])[CH3:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 0