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Product Overview

Product Code

TRC-V095600

CAS Number

56124-62-0

Product Format

Neat

Molecular Formula

C34 H36 F3 N O13

Molecular Weight

723.64

API Family

Valrubicin

Product Categories

TRC, API Reference Standards & Research Materials, Additional Cancer Bioactive Molecules, Pharmaceutical Toxicology Reference Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

Valrubicin

CAS Number

56124-62-0

Molecular Formula

C34 H36 F3 N O13

Molecular Weight

723.64

Accurate Mass

723.2139

SMILES

CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1

InChI

InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1

IUPAC

[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Valrubicin

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