Catalog Number:
AG00C5HR
Chemical Name:
ESTRONE-2,4-D2
CAS Number:
350820-16-5
Molecular Formula:
C18H20D2O2
Molecular Weight:
272.3784
MDL Number:
MFCD01074230
IUPAC Name:
(8R,9S,13S,14S)-2,4-dideuterio-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
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/i3D,10D
InChI Key:
DNXHEGUUPJUMQT-HUQKQUBWSA-N
SMILES:
c1([2H])cc2[C@H]3CC[C@]4([C@H]([C@@H]3CCc2c(c1O)[2H])CCC4=O)C
