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Androst-5-en-16-one, 3-(acetyloxy)-17-hydroxy-, cyclic 16-(1,3-propanediyl mercaptole), (3.beta.,17.beta.)-
SpectraBase Compound ID KkU9wvYaCjQ
InChI InChI=1S/C24H36O3S2/c1-15(25)27-17-7-9-22(2)16(13-17)5-6-18-19(22)8-10-23(3)20(18)14-24(21(23)26)28-11-4-12-29-24/h5,17-21,26H,4,6-14H2,1-3H3/t17-,18+,19-,20-,21+,22-,23-/m0/s1
InChIKey JUNJRJYIDYXZNC-XVGQKIRDSA-N
Mol Weight 436.7 g/mol
Molecular Formula C24H36O3S2
Exact Mass 436.210587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIvvlyWqwYe
Name Androst-5-en-16-one, 3-(acetyloxy)-17-hydroxy-, cyclic 16-(1,3-propanediyl mercaptole), (3.beta.,17.beta.)-
Alternate Name(s) (1'S,2'R,5'S,10'R,11'S,14'R,15'S)-14'-hydroxy-2',15'-dimethylspiro[1,3-dithiane-2,13'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan]-7'-en-5'-yl acetate 3.beta.-acetoxy-16,16-trimethylenedithio-17.beta.-hydroxy-.delta.5-androstene Spiro[16H-cyclopenta[a]phenanthrene-16,2'-[1,3]dithiane], androst-5-en-16-one deriv.
CAS Registry Number 70081-54-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O3S2
InChI InChI=1S/C24H36O3S2/c1-15(25)27-17-7-9-22(2)16(13-17)5-6-18-19(22)8-10-23(3)20(18)14-24(21(23)26)28-11-4-12-29-24/h5,17-21,26H,4,6-14H2,1-3H3/t17-,18+,19-,20-,21+,22-,23-/m0/s1
InChIKey JUNJRJYIDYXZNC-XVGQKIRDSA-N
Molecular Weight 436.669 g/mol
SMILES O[C@]1(C2(SCCCS2)C[C@@]2([C@@]1(CC[C@@]1([C@@]3(C(C[C@@](OC(=O)C)(CC3)[H])=CC[C@@]21[H])C)[H])C)[H])[H]
SPLASH splash10-014i-0190200000-03a50fa0ed52bd8f65b5
Source of Spectrum H-61-3092-0
Wiley ID 1383510