Name: Epothilone B-d3 (synthetic)
Brand: TRC
SKU: TRC-E588992

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Product Overview

Product Code

TRC-E588992

Product Format

Neat

Molecular Formula

C27 D3 H38 N O6 S

Molecular Weight

510.701

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Alternate CAS Number

152044-54-7

Unlabelled CAS Number

152044-54-7

Documentation

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Product Information

Analyte Name

Epothilone B-d3 (synthetic)

Molecular Formula

C27 D3 H38 N O6 S

Molecular Weight

510.701

Accurate Mass

510.284

SMILES

[2H]C([2H])([2H])c1nc(\C=C(/C)\[C@@H]2C[C@@H]3O[C@]3(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1

InChI

InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1/i4D3

IUPAC

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

Alternate CAS Number

152044-54-7

Unlabelled CAS Number

152044-54-7

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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