| Catalog |
ACM3243365 |
| CAS |
3243-36-5 |
| Structure |  |
| Synonyms |
Ambral |
| IUPAC Name |
2-[(1S,4aS,8aS)-5,5,8a-Trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetaldehyde |
| Molecular Weight |
234.38 |
| Molecular Formula |
C16H26O |
| Canonical SMILES |
CC1(CCCC2(C1CCC(=C)C2CC=O)C)C |
| InChI |
InChI=1S/C16H26O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h11,13-14H,1,5-10H2,2-4H3/t13-,14-,16+/m0/s1 |
| InChI Key |
BFWKKBSHTOEBHL-OFQRWUPVSA-N |
| Boiling Point |
307 ºC |
| Flash Point |
145 ºC |
| Purity |
98%+ |
| Density |
0.94 |
| Exact Mass |
234.198365449 |
| Isomeric SMILES |
C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC=O)(C)C |
| Monoisotopic Mass |
234.198365449 |
| Topological Polar Surface Area |
17.1 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.
