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(1S,3R,8aR)-1-Isopropyl-3-(pent-4-enyl)-4-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-3,5,6,7,8,8a-hexahydro-1H-isochromen-3-ol

View entire compound with spectra: 1 MS (GC)

(1S,3R,8aR)-1-Isopropyl-3-(pent-4-enyl)-4-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-3,5,6,7,8,8a-hexahydro-1H-isochromen-3-ol
SpectraBase Compound ID 2NZ0na1sfIo
InChI InChI=1S/C24H35NO3S/c1-5-6-12-17-24(26)23(29(27,25-4)19-13-8-7-9-14-19)21-16-11-10-15-20(21)22(28-24)18(2)3/h5,7-9,13-14,18,20,22,26H,1,6,10-12,15-17H2,2-4H3/t20-,22+,24-,29-/m1/s1
InChIKey SMTODDWDZYMDTA-ZIQMNSDKSA-N
Mol Weight 417.6 g/mol
Molecular Formula C24H35NO3S
Exact Mass 417.233765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlvYPWbGOPh
Name (1S,3R,8aR)-1-Isopropyl-3-(pent-4-enyl)-4-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-3,5,6,7,8,8a-hexahydro-1H-isochromen-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H35NO3S
InChI InChI=1S/C24H35NO3S/c1-5-6-12-17-24(26)23(29(27,25-4)19-13-8-7-9-14-19)21-16-11-10-15-20(21)22(28-24)18(2)3/h5,7-9,13-14,18,20,22,26H,1,6,10-12,15-17H2,2-4H3/t20-,22+,24-,29-/m1/s1
InChIKey SMTODDWDZYMDTA-ZIQMNSDKSA-N
Literature Reference DOI 10.1021/ol800854s
Molecular Weight 417.608 g/mol
SMILES O[C@]1(CCCC=C)O[C@@](C(C)C)([C@]2(C(=C1[S@](c1ccccc1)(=NC)=O)CCCC2)[H])[H]
SPLASH splash10-052b-2319000000-4eec6b324bd345b4624a
Source of Spectrum A1-10-2713/SMS21-10b
Synonyms (1S,3R,8aR)-1-isopropyl-4-(N-methylphenylsulfonimidoyl)-3-(pent-4-en-1-yl)-3,5,6,7,8,8a-hexahydro-1H-isochromen-3-ol
Wiley ID 1759555