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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H32O4S
Molecular Weight 416.573
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17.ALPHA.-PREGN-4-ENE-21-CARBOXYLIC ACID, 17-HYDROXY-7.BETA.-MERCAPTO-3-OXO-, .GAMMA.-LACTONE, ACETATE

SMILES

[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])[C@]([H])(CC5=CC(=O)CC[C@]45C)SC(C)=O

InChI

InChIKey=LXMSZDCAJNLERA-KVXIHFSQSA-N
InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19-,21+,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H32O4S
Molecular Weight 416.573
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8NK6P5VN96
Record Status Validated (UNII)
Record Version