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(4AR, 5S,6S,7S)-2-benzyl-6-benzyloxy-7-(2-ethyl-hexanoyloxy)-3,4,4a,5,6,7-hexahydro-5-hydroxymethyl-1(2H)-isoquinolone
SpectraBase Compound ID EB42e7j4KVu
InChI InChI=1S/C32H41NO5/c1-3-5-16-25(4-2)38-32(36)28-19-27-26(17-18-33(31(27)35)20-23-12-8-6-9-13-23)29(21-34)30(28)37-22-24-14-10-7-11-15-24/h6-15,19,25-26,28-30,34H,3-5,16-18,20-22H2,1-2H3
InChIKey SYFKHFNFRMRYLV-UHFFFAOYSA-N
Mol Weight 519.7 g/mol
Molecular Formula C32H41NO5
Exact Mass 519.298473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55QPJqD0Auf
Name (4AR, 5S,6S,7S)-2-benzyl-6-benzyloxy-7-(2-ethyl-hexanoyloxy)-3,4,4a,5,6,7-hexahydro-5-hydroxymethyl-1(2H)-isoquinolone
Comments ISOMER 2 HIGH FIELD SHIFTS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C32H41NO5
InChI InChI=1S/C32H41NO5/c1-3-5-16-25(4-2)38-32(36)28-19-27-26(17-18-33(31(27)35)20-23-12-8-6-9-13-23)29(21-34)30(28)37-22-24-14-10-7-11-15-24/h6-15,19,25-26,28-30,34H,3-5,16-18,20-22H2,1-2H3
InChIKey SYFKHFNFRMRYLV-UHFFFAOYSA-N
Literature Reference S.F. Martin, H. Rueger, S.A. Williamson, J. Am. Chem. Soc. 109, 6124 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3