| SpectraBase Spectrum ID |
6PsGZ1z3wDY |
| Name |
Methyl propionate, 2-[octahydro-3a',7a'-dimethyl-4',7'-methano-1'H-inden-1'-yl-(1'alpha,3a'alpha,4'beta,7'beta,7a'alpha)]-(2R) |
| 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 |
250.193280075 u |
| Formula |
C16H26O2 |
| InChI |
InChI=1S/C16H26O2/c1-10(14(17)18-4)13-7-8-15(2)11-5-6-12(9-11)16(13,15)3/h10-13H,5-9H2,1-4H3/t10-,11+,12-,13-,15-,16-/m1/s1 |
| InChIKey |
OTRCUSXBJAAHBZ-QIDIWCQUSA-N |
| Molecular Weight |
250.382 g/mol |
| Number of Peaks |
20 |
| SMILES |
[C@@]12([C@]3(CC[C@@]([C@@]2([C@@]([C@@](C)(C(=O)OC)[H])(CC1)[H])C)(C3)[H])[H])C |
| SPLASH |
splash10-00e9-5900000000-99ae098a7506e0dbb245 |
| Source of Spectrum |
FF-10-214-5 (DOI: 10.1002/ffj.2730100315) |
| Synonyms |
Cyclosantalic acid methyl ester
Methyl (R)-2-((1R,3aR,4S,7R,7aR)-3a,7a-dimethyloctahydro-1H-4,7-methanoinden-1-yl)propanoate |
| Wiley ID |
1801307 |
![Methyl propionate, 2-[octahydro-3a',7a'-dimethyl-4',7'-methano-1'H-inden-1'-yl-(1'alpha,3a'alpha,4'beta,7'beta,7a'alpha)]-(2R)](/api/spectrum/6PsGZ1z3wDY/structure.png?h=300&w=458 "Methyl propionate, 2-[octahydro-3a',7a'-dimethyl-4',7'-methano-1'H-inden-1'-yl-(1'alpha,3a'alpha,4'beta,7'beta,7a'alpha)]-(2R)")
