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(2S,3S,3aS,7aR)-Methyl 4-((R)-1-(benzylcarbamoyl)-3-methylbutyl)-2,3,3a,4,5,7a-hexahydro-2-vinylfuro[3,2-b]pyridine-3-carboxylate

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(2S,3S,3aS,7aR)-Methyl 4-((R)-1-(benzylcarbamoyl)-3-methylbutyl)-2,3,3a,4,5,7a-hexahydro-2-vinylfuro[3,2-b]pyridine-3-carboxylate
SpectraBase Compound ID 60UZL6n2qhT
InChI InChI=1S/C24H32N2O4/c1-5-19-21(24(28)29-4)22-20(30-19)12-9-13-26(22)18(14-16(2)3)23(27)25-15-17-10-7-6-8-11-17/h5-12,16,18-22H,1,13-15H2,2-4H3,(H,25,27)/t18-,19+,20-,21-,22-/m1/s1
InChIKey PBZOWIMPNFJPJH-PVIWCNJMSA-N
Mol Weight 412.5 g/mol
Molecular Formula C24H32N2O4
Exact Mass 412.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Q5DepxmtAY
Name (2S,3S,3aS,7aR)-Methyl 4-((R)-1-(benzylcarbamoyl)-3-methylbutyl)-2,3,3a,4,5,7a-hexahydro-2-vinylfuro[3,2-b]pyridine-3-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32N2O4
InChI InChI=1S/C24H32N2O4/c1-5-19-21(24(28)29-4)22-20(30-19)12-9-13-26(22)18(14-16(2)3)23(27)25-15-17-10-7-6-8-11-17/h5-12,16,18-22H,1,13-15H2,2-4H3,(H,25,27)/t18-,19+,20-,21-,22-/m1/s1
InChIKey PBZOWIMPNFJPJH-PVIWCNJMSA-N
Molecular Weight 412.530 g/mol
SMILES N(C([C@](N1[C@]2([C@@]([C@](C=C)(O[C@]2([H])C=CC1)[H])(C(=O)OC)[H])[H])(CC(C)C)[H])=O)Cc1ccccc1
SPLASH splash10-004i-2090000000-adb22792b29f9e8ace11
Source of Spectrum F-62-8834-7
Synonyms methyl (2S,3S,3aS,7aR)-4-{(1R)-1-[(benzylamino)carbonyl]-3-methylbutyl}-2-vinyl-2,3,3a,4,5,7a-hexahydrofuro[3,2-b]pyridine-3-carboxylate
Wiley ID 1640640