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(4S,5R)-1,8-Di(N-benzylamino)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione

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(4S,5R)-1,8-Di(N-benzylamino)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione
SpectraBase Compound ID FFiUmgoGTeS
InChI InChI=1S/C34H36N2O4/c37-31(35-25-27-13-5-1-6-14-27)21-23-33(39,29-17-9-3-10-18-29)34(40,30-19-11-4-12-20-30)24-22-32(38)36-26-28-15-7-2-8-16-28/h1-20,39-40H,21-26H2,(H,35,37)(H,36,38)/t33-,34+
InChIKey VQMYCKVSEBFRJC-AQOUDTPCSA-N
Mol Weight 536.7 g/mol
Molecular Formula C34H36N2O4
Exact Mass 536.267508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2HT3lZC8ZUf
Name (4S,5R)-1,8-di(N-Benzylamino)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 536.267507643 u
Formula C34H36N2O4
InChI InChI=1S/C34H36N2O4/c37-31(35-25-27-13-5-1-6-14-27)21-23-33(39,29-17-9-3-10-18-29)34(40,30-19-11-4-12-20-30)24-22-32(38)36-26-28-15-7-2-8-16-28/h1-20,39-40H,21-26H2,(H,35,37)(H,36,38)/t33-,34+
InChIKey VQMYCKVSEBFRJC-AQOUDTPCSA-N
Molecular Weight 536.672 g/mol
SMILES [C@@]([C@](CCC(NCC=1C=CC=CC1)=O)(C1=CC=CC=C1)O)(CCC(NCC1=CC=CC=C1)=O)(C1=CC=CC=C1)O