Name: Epitaxol, 7-(P)
Brand: ChromaDex
SKU: CDX-00005116-005

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Product Overview

Product Code

CDX-00005116

CAS Number

105454-04-4

Product Format

Neat

Molecular Formula

C47 H51 N O14

Molecular Weight

853.91

Product Categories

Taxanes, ChromaDex

Documentation

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Product Information

Analyte Data

Analyte Name

7-Epitaxol

CAS Number

105454-04-4

Molecular Formula

C47 H51 N O14

Molecular Weight

853.91

Accurate Mass

853.331

Melting Point

192-194

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)c6ccccc6)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

IUPAC

[(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

UNITED STATES

Product Format

Neat

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