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Substance Name: 12-Debenzoylpaclitaxel
RN: 186799-63-3
UNII: R50K9CUX7Z
InChIKey: UBFOEBYDKFYZED-KWIOUIIFSA-N

Molecular Formula

  • C40-H47-N-O13

Molecular Weight

  • 749.8053
 
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Names and Synonyms

Name of Substance

  • 12-Debenzoylpaclitaxel

Synonym

  • UNII-R50K9CUX7Z

Registry Numbers

CAS Registry Number

  • 186799-63-3

FDA UNII

  • R50K9CUX7Z

System Generated Number

  • 0186799633

Structure Descriptors

InChI

1S/C40H47NO13/c1-20-25(53-36(49)30(45)29(23-13-9-7-10-14-23)41-35(48)24-15-11-8-12-16-24)18-40(50)34(47)32-38(6,26(44)17-27-39(32,19-51-27)54-22(3)43)33(46)31(52-21(2)42)28(20)37(40,4)5/h7-16,25-27,29-32,34,44-45,47,50H,17-19H2,1-6H3,(H,41,48)/t25-,26-,27+,29-,30+,31+,32-,34-,38+,39-,40+/m0/s1

InChIKey

UBFOEBYDKFYZED-KWIOUIIFSA-N

Smiles

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)O)(CO4)OC(=O)C)O)C)OC(=O)C