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1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-6-methyl-4-phenyl-2-(phenylmethyl)-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-

View entire compound with spectra: 1 MS (GC)

1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-6-methyl-4-phenyl-2-(phenylmethyl)-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-
SpectraBase Compound ID 5zeHIlMxLEE
InChI InChI=1S/C22H23NO2/c1-15-12-18-19(20(21(15)24)17-10-6-3-7-11-17)14-23(22(18)25)13-16-8-4-2-5-9-16/h2-12,15,19-21,24H,13-14H2,1H3/t15-,19-,20+,21+/m1/s1
InChIKey BIQBZJXPYWJHIM-IDCXYZFESA-N
Mol Weight 333.43 g/mol
Molecular Formula C22H23NO2
Exact Mass 333.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7n9y9fgZ54P
Name 1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-6-methyl-4-phenyl-2-(phenylmethyl)-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-
CAS Registry Number 114431-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO2
InChI InChI=1S/C22H23NO2/c1-15-12-18-19(20(21(15)24)17-10-6-3-7-11-17)14-23(22(18)25)13-16-8-4-2-5-9-16/h2-12,15,19-21,24H,13-14H2,1H3/t15-,19-,20+,21+/m1/s1
InChIKey BIQBZJXPYWJHIM-IDCXYZFESA-N
Molecular Weight 333.431 g/mol
SMILES O[C@]1([C@@](C=C2C(N(Cc3ccccc3)C[C@]2([C@@]1(c1ccccc1)[H])[H])=O)(C)[H])[H]
SPLASH splash10-01po-9075000000-c0aea0c52c5e7d31e686
Source of Spectrum AJ-60-3266-15
Synonyms (3aS,4R,5S,6R)-2-benzyl-5-hydroxy-6-methyl-4-phenyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one 3a,4,5,6-tetrahydro-2-benzyl-4-phenyl-5-hydroxy-6-methyl-1-isoindolinone
Wiley ID 1330416