Molecular Formula: C56H61Cl6NO18
Molecular weight: 1248.79744
InChi: InChI=1S/C56H61Cl6NO18/c1-30-35(76-46(67)41(72-26-32-18-12-9-13-19-32)39(33-20-14-10-15-21-33)63-47(68)81-50(3,4)5)25-54(71)44(79-45(66)34-22-16-11-17-23-34)42-52(8,43(65)40(38(30)51(54,6)7)78-49(70)75-29-56(60,61)62)36(77-48(69)74-28-55(57,58)59)24-37-53(42,27-73-37)80-31(2)64/h9-23,35-37,39-42,44,71H,24-29H2,1-8H3,(H,63,68)/t35-,36-,37+,39-,40+,41+,42-,44-,52+,53-,54+/m0/s1
InChi Key: TYTOZMOULNVABU-HHHWSVRVSA-N
SMILES: [C@]12([C@@H]([C@]3([C@@H](C[C@@H]2OC(=O)OCC(Cl)(Cl)Cl)OC3)OC(=O)C)[C@@H]([C@]2(C(C(=C([C@H](C2)OC(=O)[C@@H]([C@H](c2ccccc2)NC(=O)OC(C)(C)C)OCc2ccccc2)C)[C@H](C1=O)OC(=O)OCC(Cl)(Cl)Cl)(C)C)O)OC(=O)c1ccccc1)C
Chemical Name
4-acetoxy-2α-benzoyloxy-5β,20-epoxy-1,13α-dihydroxy-9-oxo-7β,10β-bis(2,2,2-trichloroethoxycarbonyloxy)-11-taxen-13α-yl (2R
4-acetoxy-2α-benzoyloxy-5β,20-epoxy-1,13α-dihydroxy-9-oxo-7β,10β-bis(2,2,2-trichloroethoxycarbonyloxy)-11-taxen-13α-yl (2R