Paclitaxel EP Impurity C

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1401
CAS
153415-45-3
Product Name
Paclitaxel EP Impurity C
Structure

Product Details

Description
Paclitaxel EP Impurity C is an impurity of Paclitaxel, which is a mitotic inhibitor used in cancer chemotherapy.
Synonyms
4,10β-Bis(acetyloxy)-13α-[[(2R,3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy]-1,7β-dihydroxy-9-oxo-5β,20-epoxytax-11-en-2α-yl benzoate; N-Debenzoyl-N-hexanoylpaclitaxel; Paclitaxel C; (-)-Taxuyunnanine; Taxol C; Taxuyunnanine; Taxuyunnanine A; Benzenepropanoic acid, α-hydroxy-β-[(1-oxohexyl)amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-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-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-; Benzenepropanoic acid, α-hydroxy-β-[(1-oxohexyl)amino]-, 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-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-; Paclitaxel pentyl analog; Baccatin III 13-ester with (2R,3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoic acid
IUPAC Name
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molecular Weight
847.97
Molecular Formula
C46H57NO14
Canonical SMILES
CCCCCC(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O
InChI
InChI=1S/C46H57NO14/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/h10-11,13-20,30-32,35-38,40,50,52,56H,8-9,12,21-24H2,1-7H3,(H,47,51)/t30-,31-,32+,35-,36+,37+,38-,40-,44+,45-,46+/m0/s1
InChIKey
BEHTXUBGUDGCNQ-IEAAAIHOSA-N
Boiling Point
932.3±65.0°C at 760 mmHg
Purity
≥95%
Density
1.34±0.1 g/cm3
Solubility
Soluble in Methanol
Appearance
Solid
Storage
Store at -20°C
Color
Yellow
Form
Powder
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