4-Methoxy Estrone-13C,d3

Analyte Name

4-Methoxyestrone methoxy-13C,d3

CAS Number

1217437-34-7

Molecular Formula

13C C18 2H3 H21 O3

Molecular Weight

304.40

Accurate Mass

304.1947

SMILES

[2H][13C]([2H])([2H])Oc1c(O)ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc12

InChI

InChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1/i2+1D3

IUPAC

(8R,9S,13S,14S)-3-hydroxy-13-methyl-4-(trideuterio(1^{13}C)methoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Unlabelled CAS Number

58562-33-7

SIL Type

Carbon, Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)