Analyte Name

Estrone-d7

Molecular Formula

C18 H15 D7 O2

Molecular Weight

277.40921

Accurate Mass

277.2059

SMILES

O=C1C([2H])([2H])C[C@@]2([H])[C@]3([H])CC([2H])([2H])C4=C([2H])C(O)=C([2H])C=C4[C@@]3([2H])CC[C@]12C

InChI

InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i2D2,3D,7D2,10D,14D

IUPAC

(8R,9S,13S,14S)-2,4,6,6,9,16,16-heptadeuterio-3-hydroxy-13-methyl-7,8,11,12,14,15-hexahydrocyclopenta[a]phenanthren-17-one

Unlabelled CAS Number

53-16-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat