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(16S,13S)-12-(Ethylenedithio)-19,25-epoxy-17(25),18-diene-16-hyrtiosanol
SpectraBase Compound ID CIf4LjUs4lQ
InChI InChI=1S/C27H42O2S2/c1-24(2)9-6-10-25(3)20(24)7-11-26(4)21(15-19(28)18-8-12-29-17-18)27(5,16-22(25)26)23-30-13-14-31-23/h8,12,17,19-23,28H,6-7,9-11,13-16H2,1-5H3/t19-,20-,21-,22?,25-,26-,27-/m0/s1
InChIKey BNHYYEODEHXBIN-ZNNZNXRUSA-N
Mol Weight 462.8 g/mol
Molecular Formula C27H42O2S2
Exact Mass 462.262623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKHYlcbSFfj
Name (16S,13S)-12-(Ethylenedithio)-19,25-epoxy-17(25),18-diene-16-hyrtiosanol
Alternate Name(s) (1S)-2-[(2S,3S,3aR,5aS,9aS)-2-(1,3-dithiolan-2-yl)-2,3a,6,6,9a-pentamethyldodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-1-(3-furyl)ethanol
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Formula C27H42O2S2
InChI InChI=1S/C27H42O2S2/c1-24(2)9-6-10-25(3)20(24)7-11-26(4)21(15-19(28)18-8-12-29-17-18)27(5,16-22(25)26)23-30-13-14-31-23/h8,12,17,19-23,28H,6-7,9-11,13-16H2,1-5H3/t19-,20-,21-,22?,25-,26-,27-/m0/s1
InChIKey BNHYYEODEHXBIN-ZNNZNXRUSA-N
Molecular Weight 462.751 g/mol
SMILES O[C@](c1cocc1)(C[C@]1([C@]2(C([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)C[C@@]1(C1SCCS1)C)C)[H])[H]
SPLASH splash10-0ldi-4910000000-093c6965c57e8aad7921
Source of Spectrum D1-200-1809-9
Wiley ID 835515