Analyte Name

3-O-Methyl 17beta-Estradiol-d5 17-O-Tetrahydropyran (Mixture of Diastereomers)

Molecular Formula

C24H29D5O3

Molecular Weight

375.56

Accurate Mass

375.28

SMILES

[H][C@]12[C@]([C@]3([2H])CC[C@@]1([C@@H](OC4CCCCO4)CC2)C)([H])C([2H])([2H])C([2H])([2H])C5=C3C=CC(OC)=C5

InChI

InChI=1S/C24H34O3/c1-24-13-12-19-18-9-7-17(25-2)15-16(18)6-8-20(19)21(24)10-11-22(24)27-23-5-3-4-14-26-23/h7,9,15,19-23H,3-6,8,10-14H2,1-2H3/t19-,20-,21+,22+,23?,24+/m1/s1/i6D2,8D2,19D

IUPAC

2-(((8R,9S,13S,14S,17S)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl-6,6,7,7,9-d5)oxy)tetrahydro-2H-pyran

Unlabelled CAS Number

4811-74-9

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat