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2-Benzyloxycarbonyl-4.alpha.-(hydroxymethyl)-7.beta.-methyl-4-.beta.-phenyl-3a.alpha.,7a.alpha.-octahydro-1H-pyrrolo[3,4-c]pyridin-7-.alpha.-ol
SpectraBase Compound ID 2B89JZN3F76
InChI InChI=1S/C23H28N2O4/c1-22(28)15-24-23(16-26,18-10-6-3-7-11-18)20-13-25(12-19(20)22)21(27)29-14-17-8-4-2-5-9-17/h2-11,19-20,24,26,28H,12-16H2,1H3/t19-,20+,22-,23-/m0/s1
InChIKey YSIFCHRKHPHBPW-MQFRRQCYSA-N
Mol Weight 396.49 g/mol
Molecular Formula C23H28N2O4
Exact Mass 396.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7vRBAxxG8k
Name 2-Benzyloxycarbonyl-4.alpha.-(hydroxymethyl)-7.beta.-methyl-4-.beta.-phenyl-3a.alpha.,7a.alpha.-octahydro-1H-pyrrolo[3,4-c]pyridin-7-.alpha.-ol
Alternate Name(s) (3aS,4R,7R,7aR)-7-Hydroxy-4-hydroxymethyl-7-methyl-4-phenyl-octahydro-pyrrolo[3,4-c]pyridine-2-carboxylic acid benzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N2O4
InChI InChI=1S/C23H28N2O4/c1-22(28)15-24-23(16-26,18-10-6-3-7-11-18)20-13-25(12-19(20)22)21(27)29-14-17-8-4-2-5-9-17/h2-11,19-20,24,26,28H,12-16H2,1H3/t19-,20+,22-,23-/m0/s1
InChIKey YSIFCHRKHPHBPW-MQFRRQCYSA-N
Molecular Weight 396.487 g/mol
SMILES N1C[C@@]([C@@]2([C@]([C@]1(CO)c1ccccc1)(CN(C2)C(OCc1ccccc1)=O)[H])[H])(O)C
SPLASH splash10-014l-4009000000-fe39eaa4e35440bb642e
Source of Spectrum F-56-6285-8
Wiley ID 858192