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(1R,2R,3S,4R)-3-[(4-Methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl (R/S)-2-cyclopentylpropanoate
SpectraBase Compound ID 6col9daGh3b
InChI InChI=1S/C26H38O3/c1-17(19-8-6-7-9-19)24(27)29-23-21(16-18-10-12-20(28-5)13-11-18)22-14-15-26(23,4)25(22,2)3/h10-13,17,19,21-23H,6-9,14-16H2,1-5H3/t17?,21-,22+,23-,26+/m1/s1
InChIKey LEPDNSUTBHPSPC-WMOFPCGOSA-N
Mol Weight 398.6 g/mol
Molecular Formula C26H38O3
Exact Mass 398.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21HCb5Kvtw
Name (1R,2R,3S,4R)-3-[(4-Methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl (R/S)-2-cyclopentylpropanoate
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Formula C26H38O3
InChI InChI=1S/C26H38O3/c1-17(19-8-6-7-9-19)24(27)29-23-21(16-18-10-12-20(28-5)13-11-18)22-14-15-26(23,4)25(22,2)3/h10-13,17,19,21-23H,6-9,14-16H2,1-5H3/t17?,21-,22+,23-,26+/m1/s1
InChIKey LEPDNSUTBHPSPC-WMOFPCGOSA-N
Molecular Weight 398.587 g/mol
SMILES [C@@]12([C@@]([C@](Cc3ccc(cc3)OC)([C@@](C1(C)C)(CC2)[H])[H])(OC(C(C1CCCC1)C)=O)[H])C
SPLASH splash10-08mi-1931000000-0fd9e2a4d1ab5be9d3a6
Source of Spectrum C5-2002-1396-6
Synonyms (1R,2R,3S,4R)-3-[(4-Methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester of (R/S)-2-Cyclopentylpropanoic acid
Wiley ID 1614746