For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Heptenoic acid, 7-[6,6-dimethyl-2-(3-oxo-1-octenyl)bicyclo[3.1.1]hept-3-yl]-, [1S-[1.alpha.,2.beta.(E),3.alpha.(Z),5.alpha.]]-
SpectraBase Compound ID IGWef45YWYT
InChI InChI=1S/C24H38O3/c1-4-5-8-12-20(25)14-15-21-18(11-9-6-7-10-13-23(26)27)16-19-17-22(21)24(19,2)3/h6,9,14-15,18-19,21-22H,4-5,7-8,10-13,16-17H2,1-3H3,(H,26,27)/b9-6+,15-14-/t18-,19-,21-,22-/m0/s1
InChIKey WRBYXTPZNVLJGO-HRHPUNCESA-N
Mol Weight 374.6 g/mol
Molecular Formula C24H38O3
Exact Mass 374.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5aLwfMnDXAl
Name 5-Heptenoic acid, 7-[6,6-dimethyl-2-(3-oxo-1-octenyl)bicyclo[3.1.1]hept-3-yl]-, [1S-[1.alpha.,2.beta.(E),3.alpha.(Z),5.alpha.]]-
CAS Registry Number 86778-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O3
InChI InChI=1S/C24H38O3/c1-4-5-8-12-20(25)14-15-21-18(11-9-6-7-10-13-23(26)27)16-19-17-22(21)24(19,2)3/h6,9,14-15,18-19,21-22H,4-5,7-8,10-13,16-17H2,1-3H3,(H,26,27)/b9-6+,15-14-/t18-,19-,21-,22-/m0/s1
InChIKey WRBYXTPZNVLJGO-HRHPUNCESA-N
Molecular Weight 374.565 g/mol
SMILES OC(CCC\C=C\C[C@@]1([C@@]([C@]2(C(C)(C)[C@](C2)(C1)[H])[H])(\C=C/C(=O)CCCCC)[H])[H])=O
SPLASH splash10-0005-9753000000-4be8a948ee673839059f
Source of Spectrum H-66-1006-0
Synonyms (5E)-7-{(1S,2R,3S,5S)-6,6-dimethyl-2-[(1Z)-3-oxo-1-octenyl]bicyclo[3.1.1]hept-3-yl}-5-heptenoic acid Methyl ester of (Z)-7-[(1S,2R,3R,5S)-2-[(1E)-3-oxo-1-octenyl]-10-norpinan-3-yl]-5-heptenoic acid
Wiley ID 1356939