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4.alpha.-(Hydroxymethyl)-2-[o-methoxyphenylacetyl)-7.beta.-methyl-4-.beta.-phenyl-3a.alpha.,7a.alpha.-octahydro-1H-pyrrolo[3,4-c]pyridin-7-.alpha.-ol
SpectraBase Compound ID CkeBZNuM9I6
InChI InChI=1S/C24H30N2O4/c1-23(29)15-25-24(16-27,18-9-4-3-5-10-18)20-14-26(13-19(20)23)22(28)12-17-8-6-7-11-21(17)30-2/h3-11,19-20,25,27,29H,12-16H2,1-2H3/t19-,20+,23-,24+/m0/s1
InChIKey NJAZHNKYDVTGNT-QEFHDYNCSA-N
Mol Weight 410.51 g/mol
Molecular Formula C24H30N2O4
Exact Mass 410.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fh62wSFACJW
Name 4.alpha.-(Hydroxymethyl)-2-[o-methoxyphenylacetyl)-7.beta.-methyl-4-.beta.-phenyl-3a.alpha.,7a.alpha.-octahydro-1H-pyrrolo[3,4-c]pyridin-7-.alpha.-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30N2O4
InChI InChI=1S/C24H30N2O4/c1-23(29)15-25-24(16-27,18-9-4-3-5-10-18)20-14-26(13-19(20)23)22(28)12-17-8-6-7-11-21(17)30-2/h3-11,19-20,25,27,29H,12-16H2,1-2H3/t19-,20+,23-,24+/m0/s1
InChIKey NJAZHNKYDVTGNT-QEFHDYNCSA-N
Molecular Weight 410.514 g/mol
SMILES N1C[C@@]([C@@]2([C@]([C@@]1(CO)c1ccccc1)(CN(C2)C(Cc1c(OC)cccc1)=O)[H])[H])(O)C
SPLASH splash10-004i-0009000000-a457653b8fa631df5a5e
Source of Spectrum F-56-6286-11
Synonyms 1-[(3aS,4S,7R,7aR)-7-hydroxy-4-(hydroxymethyl)-7-methyl-4-phenyl-1,3,3a,5,6,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-methoxyphenyl)ethanone 1-[(3aS,4S,7R,7aR)-4-(hydroxymethyl)-7-methyl-7-oxidanyl-4-phenyl-1,3,3a,5,6,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-methoxyphenyl)ethanone
Wiley ID 858190