| 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.]]- |
| Alternate Name(s) |
(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 |
| 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 |
| Wiley ID |
1284159 |
![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.]]-](/api/spectrum/1OWDCNDKaj8/structure.png?h=300&w=458 "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.]]-")
