Paclitaxel

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Systematic / IUPAC Name: (2α,5β,7β,10β,13α)-4,10-Diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate

ID: Reference1255

Other Names: (2α,5β,7β,10β,13α)-4,10-Bis(acetyloxy)-1,7-dihydroxy-13-({(2R,3S)-2-hydroxy-3-phenyl-3-[(phenylcarbonyl)amino]propanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate;
Taxol;
Paxene;
Abraxane;
Onxol ; more

Formula: C47H51NO14

Class: Therapeutics/Prescription Drugs

Spectral Data

Paclitaxel mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS ; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 5
No. of Spectra 393
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI; NSI
Analyzers FT
Last Modification 8/4/2015 2:33:28 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
InChI Key RCINICONZNJXQF-MZXODVADSA-N
Canonical SMILES
CAS 33069624
Splash
Other Names (2α,5β,7β,10β,13α)-4,10-Bis(acetyloxy)-1,7-dihydroxy-13-({(2R,3S)-2-hydroxy-3-phenyl-3-[(phenylcarbonyl)amino]propanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate;
Taxol;
Paxene;
Abraxane;
Onxol;
Yewtaxan;
Paxceed;
Plaxicel;
Lipopac;
Ebetaxel;
Genetaxyl;
Anzatax;
Genexol;
Intaxel;
Taxalbin;
Mitotax;
Cyclopax

In Other Databases

Wikipedia Paclitaxel
HMDb HMDB15360
ChemSpider 10368587
ChEMBL CHEMBL428647
PubChem 36314
KEGG D00491
ChEBI CHEBI:45863