Product Code

TRC-D229507

Product Format

Neat

Molecular Formula

13C C19 D2 H21 N O2

Molecular Weight

312.407

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

86153-38-0

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Delta9,11-Dehydro-17alpha-cyanomethyl Estradiol-13C,D2

Molecular Formula

13C C19 D2 H21 N O2

Molecular Weight

312.407

Accurate Mass

312.189

SMILES

[2H][13C]([2H])(C#N)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4C3=CC[C@]12C

InChI

InChI=1S/C20H23NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h3,5-6,12,17-18,22-23H,2,4,7-10H2,1H3/t17-,18+,19+,20-/m1/s1/i10+1D2

IUPAC

2,2-dideuterio-2-[(8S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]acetonitrile

Unlabelled CAS Number

86153-38-0

SIL Type

Deuterium, Carbon

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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∆9,11-Dehydro-17alpha-cyanomethyl Estradiol-13C,D2

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