分析物名称

Paclitaxel 7-(alphaR,betaS)-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoate

CAS登记号

376629-82-2

分子式

C63 H64 N2 O17

分子量

1121.186

精确质量测定

1120.42

SMILES

CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)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(=C1C5(C)C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c8ccccc8)c9ccccc9

InChI

InChI=1S/C63H64N2O17/c1-35-43(79-58(74)49(68)47(38-22-12-7-13-23-38)64-55(71)40-26-16-9-17-27-40)33-63(76)54(81-57(73)42-30-20-11-21-31-42)52-61(6,53(70)51(78-36(2)66)46(35)60(63,4)5)44(32-45-62(52,34-77-45)82-37(3)67)80-59(75)50(69)48(39-24-14-8-15-25-39)65-56(72)41-28-18-10-19-29-41/h7-31,43-45,47-52,54,68-69,76H,32-34H2,1-6H3,(H,64,71)(H,65,72)/t43-,44-,45+,47-,48-,49+,50+,51+,52-,54-,61+,62-,63+/m0/s1

IUPAC

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-9,15-bis[[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy]-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

存储温度

-20°C

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat

API家族

Paclitaxel