10-O-[(2R,3S)-3-(Benzoylamino)-2-hydroxy-3-phenylpropanoyl]-10-O-deacetylpaclitaxel
Product Code
TRC-B207800
CAS Number
Product Format
Neat
Molecular Formula
C61 H62 N2 O16
Molecular Weight
1079.15
API Family
PaclitaxelProduct Categories
TRC, Impurity Reference Materials , Chiral Molecules , Additional Cancer Bioactive Molecules
Product Type
ImpurityDocumentation
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Product Information
Chemical Data
Analyte Name
10-O-[(2R,3S)-3-(Benzoylamino)-2-hydroxy-3-phenylpropanoyl]-10-O-deacetylpaclitaxel
CAS Number
2157462-42-3
Molecular Formula
C61 H62 N2 O16
Molecular Weight
1079.15
Accurate Mass
1078.4099
SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c8ccccc8)c9ccccc9)C3=O)C5(C)C)C
InChI
InChI=1S/C61H62N2O16/c1-34-41(76-56(72)47(66)45(36-21-11-6-12-22-36)62-53(69)38-25-15-8-16-26-38)32-61(74)52(78-55(71)40-29-19-10-20-30-40)50-59(5,42(65)31-43-60(50,33-75-43)79-35(2)64)51(68)49(44(34)58(61,3)4)77-57(73)48(67)46(37-23-13-7-14-24-37)63-54(70)39-27-17-9-18-28-39/h6-30,41-43,45-50,52,65-67,74H,31-33H2,1-5H3,(H,62,69)(H,63,70)/t41-,42-,43+,45-,46-,47+,48+,49+,50-,52-,59+,60-,61+/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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