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17.beta.-Acetoxy-5'-aminothieno[2',3':2,3]-5.alpha.-androstan-4'-carbonitrile
SpectraBase Compound ID CKhmg4jKuZ1
InChI InChI=1S/C24H32N2O2S/c1-13(27)28-21-7-6-18-15-5-4-14-10-16-17(12-25)22(26)29-20(16)11-24(14,3)19(15)8-9-23(18,21)2/h14-15,18-19,21H,4-11,26H2,1-3H3/t14-,15?,18?,19?,21-,23-,24-/m0/s1
InChIKey KNEKRHPESGRJFU-LTAWDVFOSA-N
Mol Weight 412.6 g/mol
Molecular Formula C24H32N2O2S
Exact Mass 412.218449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DO4prInrUTw
Name 17.beta.-Acetoxy-5'-aminothieno[2',3':2,3]-5.alpha.-androstan-4'-carbonitrile
Alternate Name(s) (1S,5aS,10aS,12aS)-8-amino-7-cyano-10a,12a-dimethyl-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[3,2-b]thiophen-1-yl acetate
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Formula C24H32N2O2S
InChI InChI=1S/C24H32N2O2S/c1-13(27)28-21-7-6-18-15-5-4-14-10-16-17(12-25)22(26)29-20(16)11-24(14,3)19(15)8-9-23(18,21)2/h14-15,18-19,21H,4-11,26H2,1-3H3/t14-,15?,18?,19?,21-,23-,24-/m0/s1
InChIKey KNEKRHPESGRJFU-LTAWDVFOSA-N
Molecular Weight 412.592 g/mol
SMILES Nc1c(c2c(C[C@@]3(C4C(C5[C@]([C@@](OC(=O)C)(CC5)[H])(C)CC4)CC[C@]3(C2)[H])C)s1)C#N
SPLASH splash10-0w29-3902700000-457199045e12859c237d
Source of Spectrum EMC-40-1290-2
Wiley ID 1734970