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(1R,2S,3S,6S)-3-Carboxy-2-(2-naphth-1-yl-ethyl)-1,7,7-trimethylbicyclo[4.4.0]decane isomer

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(1R,2S,3S,6S)-3-Carboxy-2-(2-naphth-1-yl-ethyl)-1,7,7-trimethylbicyclo[4.4.0]decane isomer
SpectraBase Compound ID LmSk7Wgc7ee
InChI InChI=1S/C26H34O2/c1-25(2)16-7-17-26(3)22(21(24(27)28)13-15-23(25)26)14-12-19-10-6-9-18-8-4-5-11-20(18)19/h4-6,8-11,21-23H,7,12-17H2,1-3H3,(H,27,28)/t21-,22-,23-,26+/m0/s1
InChIKey XSCXPNOLMJTHRI-TUGCOKMYSA-N
Mol Weight 378.6 g/mol
Molecular Formula C26H34O2
Exact Mass 378.25588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ByfgoAD4nBQ
Name (1R,2S,3S,6S)-3-Carboxy-2-(2-naphth-1-yl-ethyl)-1,7,7-trimethylbicyclo[4.4.0]decane isomer
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.255880333 u
Formula C26H34O2
InChI InChI=1S/C26H34O2/c1-25(2)16-7-17-26(3)22(21(24(27)28)13-15-23(25)26)14-12-19-10-6-9-18-8-4-5-11-20(18)19/h4-6,8-11,21-23H,7,12-17H2,1-3H3,(H,27,28)/t21-,22-,23-,26+/m0/s1
InChIKey XSCXPNOLMJTHRI-TUGCOKMYSA-N
Molecular Weight 378.556 g/mol
SMILES [C@@]12([C@]([C@@](C(=O)O)(CC[C@]2(C(C)(C)CCC1)[H])[H])(CCC=1C=2C(=CC=CC2)C=CC1)[H])C