Catalog Number:
AG00C97V
Chemical Name:
7a-Thiomethylspironolactone
CAS Number:
38753-77-4
Molecular Formula:
C23H32O3S
Molecular Weight:
388.5634
MDL Number:
MFCD00870445
IUPAC Name:
(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-7-methylsulfanylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
InChI:
InChI=1S/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21-,22-,23+/m0/s1
InChI Key:
FWRDLPQBEOKIRE-RJKHXGPOSA-N
SMILES:
CS[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@]3([C@]1(CC2)C)CCC(=O)O3)C
UNII:
0YU66JY4WL
