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Product Code

TRC-T437502

Product Format

Neat

Molecular Formula

C2013CH25D3O2

Molecular Weight

316.46

Unlabelled CAS Number

5630-53-5

Price and availability

48-hour USA dispatch time
Freight restricted.

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Product Information

Chemical Data

Analyte Name

Tibolone-13C,d3

Molecular Formula

C2013CH25D3O2

Molecular Weight

316.46

Accurate Mass

316.23

SMILES

O=C1CCC2=C(C[C@@H]([13C]([2H])([2H])[2H])[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4(C#C)O)C1

InChI

InChI=1S/C21H28O2/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/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1/i2+1D3

IUPAC

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

Unlabelled CAS Number

5630-53-5

SIL Type

Carbon, Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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