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Substance Name: 7-Hexanoyltaxol
RN: 185681-64-5
UNII: IU18HO8U80
InChIKey: NZLHIVUUYZXTDR-OFSAWIQQSA-N

Note

  • A taxane analog.

Molecular Formula

  • C53-H61-N-O15

Molecular Weight

  • 952.0569
 
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Names and Synonyms

Name of Substance

  • 7-Hexanoyltaxol

Synonyms

  • 7-Hexanoyltaxol
  • QP-2
  • QP2
  • UNII-IU18HO8U80

Registry Numbers

CAS Registry Number

  • 185681-64-5

FDA UNII

  • IU18HO8U80

System Generated Number

  • 0185681645

Structure Descriptors

InChI

1S/C53H61NO15/c1-8-9-13-26-39(57)67-37-27-38-52(29-64-38,69-32(4)56)44-46(68-48(61)35-24-18-12-19-25-35)53(63)28-36(30(2)40(50(53,5)6)43(65-31(3)55)45(59)51(37,44)7)66-49(62)42(58)41(33-20-14-10-15-21-33)54-47(60)34-22-16-11-17-23-34/h10-12,14-25,36-38,41-44,46,58,63H,8-9,13,26-29H2,1-7H3,(H,54,60)/t36-,37-,38+,41-,42+,43+,44-,46-,51+,52-,53+/m0/s1

InChIKey

NZLHIVUUYZXTDR-OFSAWIQQSA-N

Smiles

CCCCCC(=O)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)OC(=O)[C@@H]([C@H](c6ccccc6)NC(=O)c7ccccc7)O)C)OC(=O)C)C)OC(=O)C