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Substance Name: 3'-p-Hydroxypaclitaxel
RN: 132160-32-8
InChIKey: XKSMHFPSILYEIA-MZXODVADSA-N

Note

  • Metabolite of paclitaxel.

Molecular Formula

  • C47-H51-N-O15

Molecular Weight

  • 869.9119
 
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Names and Synonyms

Name of Substance

  • 3'-p-Hydroxypaclitaxel

Systematic Name

  • Benzenepropanoic acid, beta-(benzoylamino)-alpha,4-dihydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-4-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alp

Registry Numbers

CAS Registry Number

  • 132160-32-8

System Generated Number

  • 0132160328

Structure Descriptors

InChI

1S/C47H51NO15/c1-24-31(61-43(57)36(53)35(27-17-19-30(51)20-18-27)48-41(55)28-13-9-7-10-14-28)22-47(58)40(62-42(56)29-15-11-8-12-16-29)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)50)39(54)37(60-25(2)49)34(24)44(47,4)5/h7-20,31-33,35-38,40,51-53,58H,21-23H2,1-6H3,(H,48,55)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1

InChIKey

XKSMHFPSILYEIA-MZXODVADSA-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](c5ccc(cc5)O)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C