Product Code

TRC-KIT5355-1ML

Product Format

Single Solution

Matrix

Acetonitrile

Molecular Formula

C2013CH27D3O2

Molecular Weight

318.47

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

100239-44-9

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

3alpha-Hydroxy Tibolone-13C,d3

Molecular Formula

C2013CH27D3O2

Molecular Weight

318.47

Measured Value

1 mg/mL

Accurate Mass

318.2468

SMILES

[H][C@]12[C@@]([C@@](CC[C@]3(C#C)O)([H])[C@]3(C)CC2)([H])[C@H]([13C]([2H])([2H])[2H])CC4=C1CC[C@@H](O)C4

InChI

InChI=1S/C21H30O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15-,17-,18+,19-,20+,21+/m1/s1/i2+1D3

IUPAC

(3R,7R,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7-(methyl-13C-d3)-2,3,4,6,7,8,9,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol

Unlabelled CAS Number

100239-44-9

SIL Type

Deuterium, Carbon

Product Data

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile

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3alpha-Hydroxy Tibolone-13C,d3 (1mg/ml in Acetonitrile)

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