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Substance Name: N-Debenzoyl-N-(tert-butoxycarbonyl)taxol
RN: 125354-16-7
InChIKey: LEMYAXKYCOBYOJ-OAGWZNDDSA-N

Molecular Weight

  • 849.922
 
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Names and Synonyms

  • N-Debenzoyl-N-(tert-butoxycarbonyl)taxol

Registry Numbers

CAS Registry Number

  • 125354-16-7

System Generated Number

  • 0125354167

Structure Descriptors

InChI

1S/C45H55NO15/c1-23-28(58-39(53)33(50)32(26-16-12-10-13-17-26)46-40(54)61-41(4,5)6)21-45(55)37(59-38(52)27-18-14-11-15-19-27)35-43(9,29(49)20-30-44(35,22-56-30)60-25(3)48)36(51)34(57-24(2)47)31(23)42(45,7)8/h10-19,28-30,32-35,37,49-50,55H,20-22H2,1-9H3,(H,46,54)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1

InChIKey

LEMYAXKYCOBYOJ-OAGWZNDDSA-N

Smiles

O([C@@H]1[C@@]2(C(C)(C)C([C@H](C(=O)[C@@]3(C)[C@H]1[C@@]1(OC(=O)C)[C@@H](C[C@@H]3O)OC1)OC(C)=O)=C(C)[C@H](OC(=O)[C@@H]([C@@H](NC(OC(C)(C)C)=O)c1ccccc1)O)C2)O)C(=O)c1ccccc1