Catalog Number:
AG00DAKD
Chemical Name:
1,3,5[10]-ESTRATRIENE-2,4-D2-3,17BETA-DIOL
CAS Number:
53866-33-4
Molecular Formula:
C18H22D2O2
Molecular Weight:
274.3943
MDL Number:
MFCD00079179
IUPAC Name:
(8R,9S,13S,14S,17S)-2,4-dideuterio-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i3D,10D
InChI Key:
VOXZDWNPVJITMN-JXCLBMSPSA-N
SMILES:
c1([2H])cc2[C@H]3CC[C@]4([C@H]([C@@H]3CCc2c(c1O)[2H])CC[C@@H]4O)C
