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(6S,8aR)-3,5,6,7,8,8a-Hexahydro-6-[N-benzyl-N-(benzyloxycarbonyl)amino]-1-(phenylthio)indolizine
SpectraBase Compound ID 8hwu9zezvcc
InChI InChI=1S/C29H30N2O2S/c32-29(33-22-24-12-6-2-7-13-24)31(20-23-10-4-1-5-11-23)25-16-17-27-28(18-19-30(27)21-25)34-26-14-8-3-9-15-26/h1-15,18,25,27H,16-17,19-22H2/t25-,27+/m0/s1
InChIKey XDSNHKIKSUYPIC-AHKZPQOWSA-N
Mol Weight 470.63 g/mol
Molecular Formula C29H30N2O2S
Exact Mass 470.202799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qIkpJ1X3bn
Name (6S,8aR)-3,5,6,7,8,8a-Hexahydro-6-[N-benzyl-N-(benzyloxycarbonyl)amino]-1-(phenylthio)indolizine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30N2O2S
InChI InChI=1S/C29H30N2O2S/c32-29(33-22-24-12-6-2-7-13-24)31(20-23-10-4-1-5-11-23)25-16-17-27-28(18-19-30(27)21-25)34-26-14-8-3-9-15-26/h1-15,18,25,27H,16-17,19-22H2/t25-,27+/m0/s1
InChIKey XDSNHKIKSUYPIC-AHKZPQOWSA-N
Molecular Weight 470.631 g/mol
SMILES [C@]12(N(CC=C2Sc2ccccc2)C[C@](CC1)(N(C(OCc1ccccc1)=O)Cc1ccccc1)[H])[H]
SPLASH splash10-006x-9231500000-624c644b84f581133c6d
Source of Spectrum J-57-3983-21
Synonyms benzyl (6S,8aR)-1-(phenylsulfanyl)-3,5,6,7,8,8a-hexahydro-6-indolizinyl(benzyl)carbamate
Wiley ID 1392916