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S-2-(Benzyl-(benzyloxycarbonyl)-amino)-6-hydroxy-1-phenyl-3-hexanone
SpectraBase Compound ID IxRptbpeGJb
InChI InChI=1S/C27H29NO4/c29-18-10-17-26(30)25(19-22-11-4-1-5-12-22)28(20-23-13-6-2-7-14-23)27(31)32-21-24-15-8-3-9-16-24/h1-9,11-16,25,29H,10,17-21H2/t25-/m0/s1
InChIKey VAJOECVEYUPFHT-VWLOTQADSA-N
Mol Weight 431.53 g/mol
Molecular Formula C27H29NO4
Exact Mass 431.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdqgHNqVUbg
Name S-2-(Benzyl-(benzyloxycarbonyl)-amino)-6-hydroxy-1-phenyl-3-hexanone
Alternate Name(s) (S)-benzyl benzyl(6-hydroxy-3-oxo-1-phenylhexan-2-yl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29NO4
InChI InChI=1S/C27H29NO4/c29-18-10-17-26(30)25(19-22-11-4-1-5-12-22)28(20-23-13-6-2-7-14-23)27(31)32-21-24-15-8-3-9-16-24/h1-9,11-16,25,29H,10,17-21H2/t25-/m0/s1
InChIKey VAJOECVEYUPFHT-VWLOTQADSA-N
Literature Reference DOI 10.1021/ol4026588
Molecular Weight 431.532 g/mol
SMILES OCCCC([C@](Cc1ccccc1)(N(C(OCc1ccccc1)=O)Cc1ccccc1)[H])=O
SPLASH splash10-0006-9103000000-e6e18e45f2a948e306f8
Source of Spectrum A1-15-5178/SMS40-4b
Wiley ID 1751041