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(4.alpha.,10.alpha.)-4,19-cyclo-A-dihomo-2-thiaandrost-4b-ene-4a,17-dione
SpectraBase Compound ID 2Wvy2vxJkmr
InChI InChI=1S/C20H26O2S/c1-19-7-6-16-14(15(19)4-5-18(19)22)3-2-13-8-17(21)12-9-20(13,16)11-23-10-12/h8,12,14-16H,2-7,9-11H2,1H3/t12-,14+,15+,16+,19+,20-/m1/s1
InChIKey OLCRAYMUKQZKHI-MFDYCWBWSA-N
Mol Weight 330.49 g/mol
Molecular Formula C20H26O2S
Exact Mass 330.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZPgAlbCEGD
Name (4.alpha.,10.alpha.)-4,19-cyclo-A-dihomo-2-thiaandrost-4b-ene-4a,17-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O2S
InChI InChI=1S/C20H26O2S/c1-19-7-6-16-14(15(19)4-5-18(19)22)3-2-13-8-17(21)12-9-20(13,16)11-23-10-12/h8,12,14-16H,2-7,9-11H2,1H3/t12-,14+,15+,16+,19+,20-/m1/s1
InChIKey OLCRAYMUKQZKHI-MFDYCWBWSA-N
Molecular Weight 330.486 g/mol
SMILES [C@]123C(=CC([C@](C3)(CSC1)[H])=O)CC[C@]1([C@@]3(CCC([C@]3(CC[C@]21[H])C)=O)[H])[H]
SPLASH splash10-03di-9062000000-913c51a3d8f3aeab80ac
Source of Spectrum J-57-5153-4
Synonyms (1S,2S,5S,9S,10S,16S)-5-methyl-18-thiapentacyclo[14.3.1.0(1,13).0(2,10).0(5,9)]icos-13-ene-6,15-dione (4.beta.,10.beta.)-4,19-cyclo-A-dihomo-2-thiaandrost-4b-ene-4a,17-dione
Wiley ID 1328030