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(1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,7,10,13-pentamethyl-16-(propan-2-yl)tetracyclo[9.7.0.0(3,7).0(13,17)]octadeca-2,11-diene

View entire compound with spectra: 1 MS (GC)

(1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,7,10,13-pentamethyl-16-(propan-2-yl)tetracyclo[9.7.0.0(3,7).0(13,17)]octadeca-2,11-diene
SpectraBase Compound ID AVkJwz8jLko
InChI InChI=1S/C26H42/c1-16(2)20-11-12-25(6)15-22-17(3)10-13-26(7)18(4)8-9-23(26)19(5)21(22)14-24(20)25/h15-18,20-21,24H,8-14H2,1-7H3/b23-19-/t17-,18+,20+,21-,24+,25-,26+/m1/s1
InChIKey DCTKFZKEPGDLFE-QYVPSMFJSA-N
Mol Weight 354.6 g/mol
Molecular Formula C26H42
Exact Mass 354.328651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AzVjlNRnI5
Name (1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,7,10,13-pentamethyl-16-(propan-2-yl)tetracyclo[9.7.0.0(3,7).0(13,17)]octadeca-2,11-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42
InChI InChI=1S/C26H42/c1-16(2)20-11-12-25(6)15-22-17(3)10-13-26(7)18(4)8-9-23(26)19(5)21(22)14-24(20)25/h15-18,20-21,24H,8-14H2,1-7H3/b23-19-/t17-,18+,20+,21-,24+,25-,26+/m1/s1
InChIKey DCTKFZKEPGDLFE-QYVPSMFJSA-N
Instrument Name Varian 450
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.0c03996
Molecular Weight 354.622 g/mol
SMILES [C@@]12(\C(CC[C@@]2(C)[H])=C/([C@@]2(C([C@@](CC1)(C)[H])=C[C@@]1([C@@](C2)([C@@](CC1)(C(C)C)[H])[H])C)[H])C)C
SPLASH splash10-057l-2922000000-4c7157a3ab2c899f462a
Source of Spectrum A1-23-SM29-4
Wiley ID 1865962