| CAS Number | 4608-49-5 |
| Catalog Number | AG00DA4I(AGN-PC-0RUAO0) |
| Chemical Name | Larixyl Acetate |
| IUPAC Name | [(1S,4S,4aR,8aS)-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate |
| InChI | InChI=1S/C22H36O3/c1-8-21(6,24)13-10-17-15(2)14-18(25-16(3)23)19-20(4,5)11-9-12-22(17,19)7/h8,17-19,24H,1-2,9-14H2,3-7H3/t17-,18-,19-,21+,22+/m0/s1 |
| InChI Key | WCNCDVQMEQJFGH-TZWCSUAMSA-N |
| MDL Number | MFCD28145071 |
| Molecular Formula | C22H36O3 |
| Molecular Weight | 348.5194 |
| SMILES | C[C@]12[C@@](C(C)(CCC2)C)([H])[C@H](CC([C@@H]1CC[C@](C)(O)C=C)=C)OC(C)=O |
| Synonyms | 4608-49-5,
6-Acetyllarixol,
CHEMBL3138631,
SCHEMBL14699638,
ZINC3979073,
larixyl acetate,
LARIXOL ACETATE,
KBio2_001144,
CID11957828,
|
| Complexity | 550 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.266g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.527g/mol |
| Monoisotopic Mass | 348.266g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number