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(2S)-2-[(2S,5S)-5-Ethenyltetrahydro-5-methylfuran-2-yl]-1-[(3aS,6R,7aR)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]propan-1-one

View entire compound with spectra: 1 MS (GC)

(2S)-2-[(2S,5S)-5-Ethenyltetrahydro-5-methylfuran-2-yl]-1-[(3aS,6R,7aR)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]propan-1-one
SpectraBase Compound ID DEnjgLh3qo5
InChI InChI=1S/C20H31NO4S/c1-6-19(5)9-8-15(25-19)13(2)17(22)21-16-11-14-7-10-20(16,18(14,3)4)12-26(21,23)24/h6,13-16H,1,7-12H2,2-5H3/t13-,14+,15-,16+,19+,20+/m0/s1
InChIKey FWEBHRVPTAGXNP-QQPVWDQJSA-N
Mol Weight 381.53 g/mol
Molecular Formula C20H31NO4S
Exact Mass 381.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YqIDLadUG
Name (2S)-2-[(2S,5S)-5-Ethenyltetrahydro-5-methylfuran-2-yl]-1-[(3aS,6R,7aR)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO4S
InChI InChI=1S/C20H31NO4S/c1-6-19(5)9-8-15(25-19)13(2)17(22)21-16-11-14-7-10-20(16,18(14,3)4)12-26(21,23)24/h6,13-16H,1,7-12H2,2-5H3/t13-,14+,15-,16+,19+,20+/m0/s1
InChIKey FWEBHRVPTAGXNP-QQPVWDQJSA-N
Literature Reference DOI 10.1002/cbdv.201200385
Molecular Weight 381.531 g/mol
SMILES C1C[C@@]2(C[C@@]3([C@@]1(CS(=O)(=O)N3C(=O)[C@]([C@]1(O[C@@](CC1)(C=C)C)[H])(C)[H])C2(C)C)[H])[H]
SPLASH splash10-01p6-5900000000-846d8f41e7e9d23ccacc
Source of Spectrum CBD-10-1257-3
Synonyms (2R)-N-[(aS,2S,5S)-Tetrahydro-a,5-dimethyl-5-vinyl-2-furanacetyl]bornane-10,2-sultam (S)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)-2-((2S,5S)-5-methyl-5-vinyltetrahydrofuran-2-yl)propan-1-one
Wiley ID 1771205