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4-(Phenylthio)-4-Androstene-3,17,Dione [100513-95-9]

 
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Identification
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CAS # 100513-95-9, 4-(Phenylthio)-4-Androstene-3,17,Dione
Name
4-(Phenylthio)-4-Androstene-3,17,Dione
Synonyms
(8R,9S,10R,13S,14S)-10,13-Dimethyl-4-(Phenylthio)-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-3,17-Dione; (8R,9S,10R,13S,14S)-10,13-Dimethyl-4-(Phenylthio)-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-3,17-Quinone; 4-(Phenylthio)-4-Androstene-3,17,Dione
Molecular Formula
C25H30O2S
Molecular Weight 394.57
CAS Registry Number
100513-95-9
SMILES
[C@H]34[C@@H]([C@@]2(C(=C(SC1=CC=CC=C1)C(=O)CC2)CC3)C)CC[C@]5([C@H]4CCC5=O)C
InChI
1S/C25H30O2S/c1-24-15-13-21(26)23(28-16-6-4-3-5-7-16)20(24)9-8-17-18-10-11-22(27)25(18,2)14-12-19(17)24/h3-7,17-19H,8-15H2,1-2H3/t17-,18-,19-,24+,25-/m0/s1
InChIKey CLKVUYDHWSHNGQ-BKCLIDBKSA-N
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