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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 MS (GC)

(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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eefidy0SDV
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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 O[C@@](CC(\C=C\c1ccccc1)=O)(CC(OC1C([C@]2(C([C@@]1(CC2)[H])(C)C)C)c1c2c(cccc2)ccc1)=O)[H]
SPLASH splash10-00ec-2910000000-bedf8c4feb303c56ba3d
Source of Spectrum AJ-68-358-16
Synonyms (4R)-4,7,7-trimethyl-3-(1-naphthyl)bicyclo[2.2.1]hept-2-yl (3S,6E)-3-hydroxy-5-oxo-7-phenyl-6-heptenoate 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
Wiley ID 773018