Catalog Number:
AG00DAMG
Chemical Name:
16ALPHA-HYDROXY-17BETA-ESTRADIOL-2,4-D2
CAS Number:
53866-32-3
Molecular Formula:
C18H22D2O3
Molecular Weight:
290.3937
MDL Number:
MFCD01074326
IUPAC Name:
(8R,9S,13S,14S,16R,17R)-2,4-dideuterio-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
InChI:
InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1/i3D,8D
InChI Key:
PROQIPRRNZUXQM-JOFMCETISA-N
SMILES:
c1([2H])cc2[C@H]3CC[C@]4([C@H]([C@@H]3CCc2c(c1O)[2H])C[C@H]([C@@H]4O)O)C
