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2H-Cyclopenta[b]furan-4-ol, 6a,6'a-[1,2-ethanediylbis(oxy)]bis[hexahydro-3a-methyl-, dibenzoate
SpectraBase Compound ID 3rjE9pZPIq9
InChI InChI=1S/C32H38O8/c1-29-17-19-35-31(29,15-13-25(29)39-27(33)23-9-5-3-6-10-23)37-21-22-38-32-16-14-26(30(32,2)18-20-36-32)40-28(34)24-11-7-4-8-12-24/h3-12,25-26H,13-22H2,1-2H3
InChIKey FREBBICRGKXIKG-UHFFFAOYSA-N
Mol Weight 550.6 g/mol
Molecular Formula C32H38O8
Exact Mass 550.256668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMyzbGR1NT
Name 2H-Cyclopenta[B]furan-4-ol, 6A,6'A-[1,2-ethanediylbis(oxy)]bis[hexahydro-3A-methyl-, dibenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 550.256668176 u
Formula C32H38O8
InChI InChI=1S/C32H38O8/c1-29-17-19-35-31(29,15-13-25(29)39-27(33)23-9-5-3-6-10-23)37-21-22-38-32-16-14-26(30(32,2)18-20-36-32)40-28(34)24-11-7-4-8-12-24/h3-12,25-26H,13-22H2,1-2H3
InChIKey FREBBICRGKXIKG-UHFFFAOYSA-N
Molecular Weight 550.648 g/mol
SMILES C12(C(OCC2)(CCC1OC(=O)C=1C=CC=CC1)OCCOC12C(C(OC(=O)C=3C=CC=CC3)CC1)(CCO2)C)C