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13S,16S-12-Ethyldithia-19,25-epoxy-17(25),18-diene-16-acetoxyhyrtiosane

View entire compound with spectra: 2 MS (GC)

13S,16S-12-Ethyldithia-19,25-epoxy-17(25),18-diene-16-acetoxyhyrtiosane
SpectraBase Compound ID AZZZuRRhjMj
InChI InChI=1S/C29H44O3S2/c1-19(30)32-21(20-9-13-31-18-20)16-23-28(5)12-8-22-26(2,3)10-7-11-27(22,4)24(28)17-29(23,6)25-33-14-15-34-25/h9,13,18,21-25H,7-8,10-12,14-17H2,1-6H3/t21-,22-,23-,24+,27-,28-,29-/m0/s1
InChIKey OAYJEVLHYXVGFD-FCBKGSCZSA-N
Mol Weight 504.8 g/mol
Molecular Formula C29H44O3S2
Exact Mass 504.273188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kFKFNFeBNw
Name 13S,16S-12-Ethyldithia-19,25-epoxy-17(25),18-diene-16-acetoxyhyrtiosane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O3S2
InChI InChI=1S/C29H44O3S2/c1-19(30)32-21(20-9-13-31-18-20)16-23-28(5)12-8-22-26(2,3)10-7-11-27(22,4)24(28)17-29(23,6)25-33-14-15-34-25/h9,13,18,21-25H,7-8,10-12,14-17H2,1-6H3/t21-,22-,23-,24+,27-,28-,29-/m0/s1
InChIKey OAYJEVLHYXVGFD-FCBKGSCZSA-N
Molecular Weight 504.788 g/mol
SMILES [C@]12([C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(C[C@@]([C@]1(C[C@@](c1cocc1)(OC(=O)C)[H])[H])(C1SCCS1)C)[H])C
SPLASH splash10-0002-3291000000-422f93a68656d0a51ae4
Source of Spectrum C5-2002-1529-15
Synonyms 13S,16S-12-Ethylenedithia-19,25-epoxy-17(25),18-diene-16-acetoxyhyrtiosane 13S,16R-12-Ethylenedithia-19,25-epoxy-17(25),18-dien-16-acetoxyhyrtiosane 13S,16S-12-Ethylenedithia-19,25-epoxy-17(25),18-dien-16-acetoxyhyrtiosane Acetic acid [(1S)-2-[(2S,3S,3aR,5aS,9aS,9bR)-2-(1,3-dithiolan-2-yl)-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-1-(3-furanyl)ethyl] ester [(1S)-2-[(2S,3S,3aR,5aS,9aS,9bR)-2-(1,3-dithiolan-2-yl)-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-1-(furan-3-yl)ethyl] acetate [(1S)-2-[(2S,3S,3aR,5aS,9aS,9bR)-2-(1,3-dithiolan-2-yl)-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-1-(3-furyl)ethyl] acetate [(1S)-2-[(2S,3S,3aR,5aS,9aS,9bR)-2-(1,3-dithiolan-2-yl)-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-1-(furan-3-yl)ethyl] ethanoate
Wiley ID 1614775