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(4R)-4,7,7-Trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-exo-yl (E,3S)-3-hydroxy-5-oxo-7-phenyl-6-heptenoate

View entire compound with spectra: 1 NMR

(4R)-4,7,7-Trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-exo-yl (E,3S)-3-hydroxy-5-oxo-7-phenyl-6-heptenoate
SpectraBase Compound ID ITRR4BtJWnD
InChI InChI=1S/C33H36O4/c1-32(2)28-18-19-33(32,3)30(27-15-9-13-23-12-7-8-14-26(23)27)31(28)37-29(36)21-25(35)20-24(34)17-16-22-10-5-4-6-11-22/h4-17,25,28,30-31,35H,18-21H2,1-3H3/b17-16+/t25-,28+,30?,31?,33-/m0/s1
InChIKey QWZHGEKYIUYHNW-IMEMUFOISA-N
Mol Weight 496.6 g/mol
Molecular Formula C33H36O4
Exact Mass 496.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JTuHyBOrGTO
Name (4R)-4,7,7-Trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-exo-yl (E,3S)-3-hydroxy-5-oxo-7-phenyl-6-heptenoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.261359635 u
Formula C33H36O4
InChI InChI=1S/C33H36O4/c1-32(2)28-18-19-33(32,3)30(27-15-9-13-23-12-7-8-14-26(23)27)31(28)37-29(36)21-25(35)20-24(34)17-16-22-10-5-4-6-11-22/h4-17,25,28,30-31,35H,18-21H2,1-3H3/b17-16+/t25-,28+,30?,31?,33-/m0/s1
InChIKey QWZHGEKYIUYHNW-IMEMUFOISA-N
Molecular Weight 496.647 g/mol
SMILES [C@@]12(C(C(OC(C[C@](CC(\C=C\C=3C=CC=CC3)=O)(O)[H])=O)[C@](C1(C)C)(CC2)[H])C1=C2C(C=CC=C2)=CC=C1)C