N-Debenzoyl-N-[(3E)-hex-3-enoyl] Paclitaxel
Product Code
TRC-D204050-10MG
CAS Number
Product Format
Neat
Molecular Formula
C46 H55 N O14
Molecular Weight
845.93
API Family
PaclitaxelProduct Categories
TRC, Impurity Reference Materials , Additional Cancer Bioactive Molecules
Product Type
ImpurityDocumentation
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Product Information
Chemical Data
Analyte Name
N-Debenzoyl-N-[(3E)-hex-3-enoyl] Paclitaxel
CAS Number
502626-06-4
Molecular Formula
C46 H55 N O14
Molecular Weight
845.93
Accurate Mass
845.3623
SMILES
CCC\C=C\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
InChI
InChI=1S/C46H55NO14/c1-8-9-12-21-33(51)47-35(28-17-13-10-14-18-28)36(52)42(55)59-30-23-46(56)40(60-41(54)29-19-15-11-16-20-29)38-44(7,31(50)22-32-45(38,24-57-32)61-27(4)49)39(53)37(58-26(3)48)34(25(30)2)43(46,5)6/h10-21,30-32,35-38,40,50,52,56H,8-9,22-24H2,1-7H3,(H,47,51)/b21-12+/t30-,31-,32+,35-,36+,37+,38-,40-,44+,45-,46+/m0/s1
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Impurity
Product Format
Neat
API Family
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