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1-[2',3'-Dihydroxy-3'-(4'-methoxyphenyl)-1'-oxopropyl]-1,4,5,6,7,7a-hexahydro-8,8-dimethyl-3H-3a,6-methano2.1]benzisothiazole]-2,2-dioxide

View entire compound with spectra: 1 MS (GC)

1-[2',3'-Dihydroxy-3'-(4'-methoxyphenyl)-1'-oxopropyl]-1,4,5,6,7,7a-hexahydro-8,8-dimethyl-3H-3a,6-methano2.1]benzisothiazole]-2,2-dioxide
SpectraBase Compound ID JAwR6XDYqg8
InChI InChI=1S/C20H27NO6S/c1-19(2)13-8-9-20(19)11-28(25,26)21(15(20)10-13)18(24)17(23)16(22)12-4-6-14(27-3)7-5-12/h4-7,13,15-17,22-23H,8-11H2,1-3H3/t13-,15?,16?,17?,20-/m1/s1
InChIKey FHWZDSVQFHIAKR-YWOKKPKJSA-N
Mol Weight 409.5 g/mol
Molecular Formula C20H27NO6S
Exact Mass 409.155909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAxAjEzHFRO
Name 1-[2',3'-Dihydroxy-3'-(4'-methoxyphenyl)-1'-oxopropyl]-1,4,5,6,7,7a-hexahydro-8,8-dimethyl-3H-3a,6-methano2.1]benzisothiazole]-2,2-dioxide
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Formula C20H27NO6S
InChI InChI=1S/C20H27NO6S/c1-19(2)13-8-9-20(19)11-28(25,26)21(15(20)10-13)18(24)17(23)16(22)12-4-6-14(27-3)7-5-12/h4-7,13,15-17,22-23H,8-11H2,1-3H3/t13-,15?,16?,17?,20-/m1/s1
InChIKey FHWZDSVQFHIAKR-YWOKKPKJSA-N
Molecular Weight 409.497 g/mol
SMILES OC(C(C(N1S(C[C@@]23C([C@](CC3)(CC12)[H])(C)C)(=O)=O)=O)O)c1ccc(cc1)OC
SPLASH splash10-000i-2910000000-faa55d1e5fb85da9e95c
Source of Spectrum H-81-1275-2
Synonyms 3-(10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)-1-(4-methoxyphenyl)-3-oxo-1,2-propanediol
Wiley ID 1373290