| SpectraBase Spectrum ID |
JNWuJV6LSBx |
| Name |
Propanoic acid, 2-[octahydro-3a',7a'-dimethyl-4',7'-methano-1'H-inden-1'-yl-(1'alpha,3a'alpha,4'beta,7'beta,7a'alpha)]-(2s) |
| Classification |
Iridoids and derivatives |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
236.177630011 u |
| Formula |
C15H24O2 |
| InChI |
InChI=1S/C15H24O2/c1-9(13(16)17)12-6-7-14(2)10-4-5-11(8-10)15(12,14)3/h9-12H,4-8H2,1-3H3,(H,16,17)/t9-,10-,11+,12+,14+,15+/m0/s1 |
| InChIKey |
BOKOJDRVYNIUJP-IDMWBNCISA-N |
| Molecular Weight |
236.355 g/mol |
| Number of Peaks |
18 |
| SMILES |
OC([C@]([C@@]1([C@]2([C@@]3(CC[C@]([C@]2(CC1)C)(C3)[H])[H])C)[H])(C)[H])=O |
| SPLASH |
splash10-00xv-7900000000-4e1ff559d748c8a3d3fe |
| Source of Spectrum |
FF-10-214-4 (DOI: 10.1002/ffj.2730100315) |
| Synonyms |
Epicyclosantalic acid
(S)-2-((1R,3aR,4S,7R,7aR)-3a,7a-dimethyloctahydro-1H-4,7-methanoinden-1-yl)propanoic acid |
| Wiley ID |
1801306 |
![Propanoic acid, 2-[octahydro-3a',7a'-dimethyl-4',7'-methano-1'H-inden-1'-yl-(1'alpha,3a'alpha,4'beta,7'beta,7a'alpha)]-(2s)](/api/spectrum/JNWuJV6LSBx/structure.png?h=300&w=458 "Propanoic acid, 2-[octahydro-3a',7a'-dimethyl-4',7'-methano-1'H-inden-1'-yl-(1'alpha,3a'alpha,4'beta,7'beta,7a'alpha)]-(2s)")
