Paclitaxel C13 Labeled(P) For Non-Human Use Only

Analyte Name

Paclitaxel 13C6

CAS Number

379688-61-6

Molecular Formula

13C6 C41 H51 N O14

Molecular Weight

859.86

Accurate Mass

859.3511

Melting Point

225-228

Appearance/Form

Powder

Flash Point

-20

Color

White

Odor

Odourless

SMILES

CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)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)[13c]6[13cH][13cH][13cH][13cH][13cH]6)c7ccccc7)C(=C1C5(C)C)C

InChI

InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36-,37+,38-,40-,45+,46-,47+/m0/s1/i8+1,12+1,13+1,18+1,19+1,29+1

SIL Type

Carbon

Storage Temperature

-20°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

UNITED STATES

Tariff Code

28459090