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1H-2-Benzopyran-1-one, 3,4-dihydro-4-[3-hydroxy-4-methyl-2-[(4-methylphenyl)sulfonyl]pentylidene]-7-methyl-, [R*,R*-(Z)]-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1H-2-Benzopyran-1-one, 3,4-dihydro-4-[3-hydroxy-4-methyl-2-[(4-methylphenyl)sulfonyl]pentylidene]-7-methyl-, [R*,R*-(Z)]-(.+-.)-
SpectraBase Compound ID ItbPHSWTxwZ
InChI InChI=1S/C23H26O5S/c1-14(2)22(24)21(29(26,27)18-8-5-15(3)6-9-18)12-17-13-28-23(25)20-11-16(4)7-10-19(17)20/h5-12,14,21-22,24H,13H2,1-4H3/b17-12+/t21-,22-/m1/s1
InChIKey UARJPCRSWYPOSC-UNICAIEHSA-N
Mol Weight 414.52 g/mol
Molecular Formula C23H26O5S
Exact Mass 414.150095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIR7kcSPS2p
Name 1H-2-Benzopyran-1-one, 3,4-dihydro-4-[3-hydroxy-4-methyl-2-[(4-methylphenyl)sulfonyl]pentylidene]-7-methyl-, [R*,R*-(Z)]-(.+-.)-
CAS Registry Number 130767-22-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O5S
InChI InChI=1S/C23H26O5S/c1-14(2)22(24)21(29(26,27)18-8-5-15(3)6-9-18)12-17-13-28-23(25)20-11-16(4)7-10-19(17)20/h5-12,14,21-22,24H,13H2,1-4H3/b17-12+/t21-,22-/m1/s1
InChIKey UARJPCRSWYPOSC-UNICAIEHSA-N
Molecular Weight 414.516 g/mol
SMILES O[C@@]([C@](S(c1ccc(cc1)C)(=O)=O)(\C=C\1c2c(cc(cc2)C)C(OC1)=O)[H])(C(C)C)[H]
SPLASH splash10-05g0-1920000000-88a7b77d4e10e9b93ee9
Source of Spectrum F-46-4515-58
Synonyms (4Z)-4-{(2R,3R)-3-hydroxy-4-methyl-2-[(4-methylphenyl)sulfonyl]pentylidene}-7-methyl-3,4-dihydro-1H-2-benzopyran-1-one (4Z)-7-methyl-4-[(2RS,3RS)-3-hydroxy-4-methyl-2-p-toluenesulphonylethyliden-1-yl]-isochroman-1-one
Wiley ID 1375392