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(8'R,9'S,10'R,13'S,14'S)-10',13'-dimethylspiro[1,3-dithiolane-2,12'-6,7,8,9,11,14,15,16-octahydrocyclopenta[a]phenanthrene]-3',17'-dione

View entire compound with spectra: 1 MS (GC)

(8'R,9'S,10'R,13'S,14'S)-10',13'-dimethylspiro[1,3-dithiolane-2,12'-6,7,8,9,11,14,15,16-octahydrocyclopenta[a]phenanthrene]-3',17'-dione
SpectraBase Compound ID Q25hAe9Y4K
InChI InChI=1S/C21H26O2S2/c1-19-8-7-14(22)11-13(19)3-4-15-16-5-6-18(23)20(16,2)21(12-17(15)19)24-9-10-25-21/h7-8,11,15-17H,3-6,9-10,12H2,1-2H3/t15-,16-,17-,19-,20-/m0/s1
InChIKey GFHSJDCWPHSQOR-TXTPUJOMSA-N
Mol Weight 374.56 g/mol
Molecular Formula C21H26O2S2
Exact Mass 374.137422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOsEpQl12Xi
Name (8'R,9'S,10'R,13'S,14'S)-10',13'-dimethylspiro[1,3-dithiolane-2,12'-6,7,8,9,11,14,15,16-octahydrocyclopenta[a]phenanthrene]-3',17'-dione
CAS Registry Number 119124-10-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O2S2
InChI InChI=1S/C21H26O2S2/c1-19-8-7-14(22)11-13(19)3-4-15-16-5-6-18(23)20(16,2)21(12-17(15)19)24-9-10-25-21/h7-8,11,15-17H,3-6,9-10,12H2,1-2H3/t15-,16-,17-,19-,20-/m0/s1
InChIKey GFHSJDCWPHSQOR-TXTPUJOMSA-N
Molecular Weight 374.557 g/mol
SMILES [C@@]12(C3(C[C@@]4([C@]5(C=CC(C=C5CC[C@]4([C@@]1(CCC2=O)[H])[H])=O)C)[H])SCCS3)C
SPLASH splash10-0adi-3922000000-bf73fa2d1767d22ac37c
Source of Spectrum B-41-992-11
Synonyms (8'R,9'S,10'R,13'S,14'S)-10',13'-dimethylspiro[1,3-dithiolane-2,12'-6,7,8,9,11,14,15,16-octahydrocyclopenta[a]phenanthrene]-3',17'-quinone
Wiley ID 1356635