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

*Links on SpectraBase are not permalinks.
5-Heptenoic acid, 7-[2-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-yl]-, [1S-[1.alpha.,2.beta.,3.alpha.(Z),5.alpha.]]-
SpectraBase Compound ID FuPB66Cuybu
InChI InChI=1S/C17H28O3/c1-17(2)13-9-12(14(11-18)15(17)10-13)7-5-3-4-6-8-16(19)20/h3,5,12-15,18H,4,6-11H2,1-2H3,(H,19,20)/b5-3-/t12-,13-,14+,15-/m0/s1
InChIKey JTJHOVRICDANPW-NWAQRGGSSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 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 1OWDCNDKaj8
Name 5-Heptenoic acid, 7-[2-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-yl]-, [1S-[1.alpha.,2.beta.,3.alpha.(Z),5.alpha.]]-
CAS Registry Number 86787-08-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-17(2)13-9-12(14(11-18)15(17)10-13)7-5-3-4-6-8-16(19)20/h3,5,12-15,18H,4,6-11H2,1-2H3,(H,19,20)/b5-3-/t12-,13-,14+,15-/m0/s1
InChIKey JTJHOVRICDANPW-NWAQRGGSSA-N
Molecular Weight 280.408 g/mol
SMILES OC[C@@]1([C@@](C\C=C/CCCC(=O)O)(C[C@@]2(C([C@]1(C2)[H])(C)C)[H])[H])[H]
SPLASH splash10-01bc-9520000000-9421984105910f006f84
Source of Spectrum H-66-1006-0
Synonyms (5Z)-7-[(1S,2R,3S,5S)-2-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-yl]-5-heptenoic acid (Z)-7-[(1S,2R,3S,5S)-10-hydroxy-3-pinanyl]-5-heptenoic acid
Wiley ID 1284159