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Substance Name: 10-Deacetyl-10-oxo-7-epi-taxol
RN: 105377-71-7
InChIKey: CJCYABFPESVRKC-VIMPDCIZSA-N

Molecular Weight

  • 809.86
 
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Names and Synonyms

  • 10-Deacetyl-10-oxo-7-epi-taxol
  • Taxane Ia

Registry Numbers

CAS Registry Number

  • 105377-71-7

System Generated Number

  • 0105377717

Structure Descriptors

InChI

1S/C45H47NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33,35-36,38,48,50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30+,31+,33-,35+,36-,38-,43+,44-,45+/m0/s1

InChIKey

CJCYABFPESVRKC-VIMPDCIZSA-N

Smiles

C1(=O)C(=O)C=2C(C)([C@@](O)(C[C@@H](C2C)OC(=O)[C@H](O)[C@H](c2ccccc2)NC(=O)c2ccccc2)[C@H](OC(c2ccccc2)=O)[C@@H]2[C@@]3([C@@H](C[C@H](O)[C@@]12C)OC3)OC(C)=O)C