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Product Overview

Product Code

TRC-I941990

CAS Number

219989-84-1

Product Format

Neat

Molecular Formula

C27 H42 N2 O5 S

Molecular Weight

506.70

API Family

Ixabepilone

Product Categories

Additional Cancer Bioactive Molecules, TRC, Chiral catalysts, ligands, & reagents

Product Type

Synthesis Tools

Documentation

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Product Information

Chemical Data

Analyte Name

Ixabepilone

CAS Number

219989-84-1

Molecular Formula

C27 H42 N2 O5 S

Molecular Weight

506.70

Accurate Mass

506.2814

SMILES

C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C

InChI

InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1

IUPAC

(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Ixabepilone

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