Analyte Name

3-O-Benzyl Estriol-d1

Molecular Formula

C25 D H29 O3

Molecular Weight

379.51

Accurate Mass

379.226

SMILES

[2H][C@]1(O)[C@H](O)C[C@H]2[C@@H]3CCc4cc(OCc5ccccc5)ccc4[C@H]3CC[C@]12C

InChI

InChI=1S/C25H30O3/c1-25-12-11-20-19-10-8-18(28-15-16-5-3-2-4-6-16)13-17(19)7-9-21(20)22(25)14-23(26)24(25)27/h2-6,8,10,13,20-24,26-27H,7,9,11-12,14-15H2,1H3/t20-,21-,22+,23-,24+,25+/m1/s1/i24D

IUPAC

(8R,9S,13S,14S,16R,17R)-17-deuterio-13-methyl-3-phenylmethoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol

Unlabelled CAS Number

18650-87-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat