3'-demethyletoposide

Properties Image MNX_ID MNXM150749 reference chebi:172747 formula C28H30O13 global charge 0 mol weight 574.535 InChIKey CYOJPLOJEPTJMM-RCQFJHMNSA-N InChI InChI=1S/C28H30O13/c1-10-35-8-19-26(39-10)23(31)24(32)28(40-19)41-25-13-6-17-16(37-9-38-17)5-12(13)20(21-14(25)7-36-27(21)33)11-3-15(29)22(30)18(4-11)34-2/h3-6,10,14,19-21,23-26,28-32H,7-9H2,1-2H3/t10-,14?,19?,20+,21?,23-,24-,25+,26?,28?/m1/s1 SMILES COC1=C(O)C(O)=CC([C@H]2C3=C(C=C4OCOC4=C3)[C@H](OC3OC4CO[C@@H](C)OC4[C@H](O)[C@H]3O)C3COC(=O)C32)=C1 MNX internals InChI (mnx) InChI=1/C28H30O13/c1-10-35-8-19-26(39-10)23(31)24(32)28(40-19)41-25-13-6-17-16(37-9-38-17)5-12(13)20(21-14(25)7-36-27(21)33)11-3-15(29)22(30)18(4-11)34-2/h3-6,10,14,19-21,23-26,28-32H,7-9H2,1-2H3/t10-,14?,19?,20+,21?,23-,24-,25+,26?,28?/m1/s1 SMILES (mnx) [CH3:1][C@@H:10]1[O:35][CH2:8][CH:19]2[CH:26]([C@H:23]([OH:31])[C@@H:24]([OH:32])[CH:28]([O:41][C@H:25]3[C:13]4=[CH:6][C:17]5=[C:16]([CH:5]=[C:12]4[C@H:20]([C:11]4=[CH:3][C:15]([OH:29])=[C:22]([OH:30])[C:18]([O:34][CH3:2])=[CH:4]4)[CH:21]4[CH:14]3[CH2:7][O:36][C:27]4=[O:33])[O:37][CH2:9][O:38]5)[O:40]2)[O:39]1

Parent-child relations graph

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