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Details

Stereochemistry EPIMERIC
Molecular Formula C23H32O4S
Molecular Weight 404.563
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7ALFA-THIOMETHYLSPIRONOLACTONE SULFOXIDE

SMILES

C[S@@](=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13

InChI

InChIKey=ADVFYBFTUKGFGC-FLWPULIFSA-N
InChI=1S/C23H32O4S/c1-21-8-4-15(24)12-14(21)13-18(28(3)26)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)27-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21-,22-,23+,28?/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H32O4S
Molecular Weight 404.563
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
59MB937W7X
Record Status Validated (UNII)
Record Version