Catalog Number:
AG008T9F
Chemical Name:
(3β)-Androsta-5,16-diene-3,17-diol 3-Acetate 17-(Trifluoromethanesulfonate)
CAS Number:
115375-60-5
Molecular Formula:
C22H29F3O5S
Molecular Weight:
462.5229
MDL Number:
MFCD18252939
IUPAC Name:
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChI:
InChI=1S/C22H29F3O5S/c1-13(26)29-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(21(17,3)11-9-18(16)20)30-31(27,28)22(23,24)25/h4,7,15-18H,5-6,8-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1
InChI Key:
MCIVSCZCJRGEJR-ZKHIMWLXSA-N
SMILES:
CC(=O)O[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC=C2OS(=O)(=O)C(F)(F)F)C)C1)C
EC Number:
806-821-8
