Catalog Number:
AG00AD6A
Chemical Name:
Androsta-3,5,16-trien-17-ol Trifluoromethanesulfonate
CAS Number:
154229-36-4
Molecular Formula:
C20H25F3O3S
Molecular Weight:
402.4709
MDL Number:
MFCD22415265
IUPAC Name:
[(8R,9S,10R,13S,14S)-10,13-dimethyl-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl] trifluoromethanesulfonate
InChI:
InChI=1S/C20H25F3O3S/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(19(15,2)12-10-16(14)18)26-27(24,25)20(21,22)23/h3,5-6,9,14-16H,4,7-8,10-12H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChI Key:
HTQBXNHYTUSZON-QAGGRKNESA-N
SMILES:
O=S(=O)(C(F)(F)F)OC1=CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC=C2
