| CAS Number | 22419-74-5 |
| Catalog Number | AG00C4GZ(AGN-PC-0QZ05O) |
| Chemical Name | Incensol |
| IUPAC Name | (1R,2R,5E,9Z)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol |
| InChI | InChI=1S/C20H34O2/c1-15(2)20-12-11-17(4)8-6-7-16(3)9-10-18(21)19(5,22-20)13-14-20/h7,11,15,18,21H,6,8-10,12-14H2,1-5H3/b16-7+,17-11-/t18-,19-,20?/m1/s1 |
| InChI Key | SSBZLMMXFQMHDP-AWBFOCMTSA-N |
| MDL Number | MFCD31560821 |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.4828 |
| SMILES | C/C1=C/CC/C(C)=C/C[C@@](C(C)C)(O2)CC[C@]2(C)[C@@H](O)CC1 |
| Synonyms | incensole,
incensole acetate,
Incensole,
22419-74-5,
ACN-046974,
|
| Complexity | 449 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 306.256g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.49g/mol |
| Monoisotopic Mass | 306.256g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number