| SpectraBase Spectrum ID |
AoKbXGX9fNC |
| Name |
Propanal, 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 |
220.182715392 u |
| Formula |
C15H24O |
| InChI |
InChI=1S/C15H24O/c1-10(9-16)13-6-7-14(2)11-4-5-12(8-11)15(13,14)3/h9-13H,4-8H2,1-3H3/t10-,11+,12-,13-,14-,15-/m1/s1 |
| InChIKey |
NTBLMLGSBLTBPJ-RBTXIFOQSA-N |
| Molecular Weight |
220.356 g/mol |
| Number of Peaks |
15 |
| SMILES |
[C@@]12([C@]3(CC[C@@]([C@@]2([C@@]([C@@](C=O)(C)[H])(CC1)[H])C)(C3)[H])[H])C |
| SPLASH |
splash10-006y-9500000000-6049f75b46a0ec8c55c7 |
| Source of Spectrum |
FF-10-214-2 (DOI: 10.1002/ffj.2730100315) |
| Synonyms |
Epicyclosantalal
(S)-2-((1R,3aR,4S,7R,7aR)-3a,7a-dimethyloctahydro-1H-4,7-methanoinden-1-yl)propanal |
| Wiley ID |
1801304 |
![Propanal, 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/AoKbXGX9fNC/structure.png?h=300&w=458 "Propanal, 2-[octahydro-3a',7a'-dimethyl-4',7'-methano-1'H-inden-1'-yl-(1'alpha,3a'alpha,4'beta,7'beta,7a'alpha)]-(2S)")
