BGC > Buscar Producto > Paclitaxel EP Impurity B | 71610-00-9

Molecular Formula: C45H53NO14

Molecular Formula: C45H53NO14
Molecular Weight: 831.9
Hazard Symbols: Xi
WGKGermany: 3
HS Code: 29329990

Description:
Cephalomannine is an active anti-cancer agent obtained from Taxus yunnanensis and has an antineoplastic effect on tumors found in mice.

• Molecular Weight:831.90
• Boiling Point:929.5±65.0°C (Predicted)
• Melting Point:180-186°C
• Purity:96%

Molecular Formula:
C45H53NO14
Canonical SMILES:
CC=C(C)C(=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/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
InChIKey:
DBXFAPJCZABTDR-WBYYIXQISA-N
Solubility:
Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:
White to Off-white Solid
Application:
antitumor
Storage: Store at -20°C
Synonyms:
4,10β-Bis(acetyloxy)-1,7β-dihydroxy-13α-[[(2R,3S)-2-hydroxy-3-[[(2E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy]-9-oxo-5β,20-epoxytax-11-en-2α-yl benzoate; N-Debenzoyl-N-tigloylpaclitaxel; Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]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)-; NSC 318735; Taxol B; USP Paclitaxel Related Compound A; Paclitaxel impurity B; Benzenepropanoic acid, α-hydroxy-β-[(2-methyl-1-oxo-2-butenyl)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*(E)],11α,12α,12aα,12bα]]-; Paclitaxel Related Compound A; Paclitaxel USP Related Compound A