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Product Overview

Product Code

CDX-00002004

CAS Number

27548-93-2

Product Format

Neat

Molecular Formula

C31 H38 O11

Molecular Weight

586.63

Product Categories

Taxanes

Documentation

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Product Information

Analyte Data

Analyte Name

Baccatin III

CAS Number

27548-93-2

Molecular Formula

C31 H38 O11

Molecular Weight

586.63

Accurate Mass

586.2414

Melting Point

229-234

Appearance/Form

Solid

Flash Point

-20

Color

Off 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](O)C(=C1C5(C)C)C

InChI

InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

UNITED STATES

Tariff Code

29329900

Product Format

Neat

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