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(1S,3R,8aR)-3-(But-3-enyl)-1-isopropyl-4-[(S)-N-methyl-S-phenyl-sulfon-imidoyl)]-3,5,6,7,8,8a-hexahydro-1H-isochromen-3-ol

View entire compound with spectra: 1 MS (GC)

(1S,3R,8aR)-3-(But-3-enyl)-1-isopropyl-4-[(S)-N-methyl-S-phenyl-sulfon-imidoyl)]-3,5,6,7,8,8a-hexahydro-1H-isochromen-3-ol
SpectraBase Compound ID IoQjYFYlyln
InChI InChI=1S/C23H33NO3S/c1-5-6-16-23(25)22(28(26,24-4)18-12-8-7-9-13-18)20-15-11-10-14-19(20)21(27-23)17(2)3/h5,7-9,12-13,17,19,21,25H,1,6,10-11,14-16H2,2-4H3/t19-,21+,23-,28-/m1/s1
InChIKey WOHCCOPDKNWSEB-RNKPQCBISA-N
Mol Weight 403.6 g/mol
Molecular Formula C23H33NO3S
Exact Mass 403.218115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8n8WQXRmidX
Name (1S,3R,8aR)-3-(But-3-enyl)-1-isopropyl-4-[(S)-N-methyl-S-phenyl-sulfon-imidoyl)]-3,5,6,7,8,8a-hexahydro-1H-isochromen-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33NO3S
InChI InChI=1S/C23H33NO3S/c1-5-6-16-23(25)22(28(26,24-4)18-12-8-7-9-13-18)20-15-11-10-14-19(20)21(27-23)17(2)3/h5,7-9,12-13,17,19,21,25H,1,6,10-11,14-16H2,2-4H3/t19-,21+,23-,28-/m1/s1
InChIKey WOHCCOPDKNWSEB-RNKPQCBISA-N
Literature Reference DOI 10.1021/ol800854s
Molecular Weight 403.581 g/mol
SMILES O[C@]1(CCC=C)O[C@@](C(C)C)([C@]2(C(=C1[S@](c1ccccc1)(=NC)=O)CCCC2)[H])[H]
SPLASH splash10-054k-0519000000-a1b8dfa55191da0b0240
Source of Spectrum A1-10-2713/SMS20-10a
Synonyms (1S,3R,8aR)-3-(but-3-en-1-yl)-1-isopropyl-4-(N-methylphenylsulfonimidoyl)-3,5,6,7,8,8a-hexahydro-1H-isochromen-3-ol
Wiley ID 1759554