Basic information
- CAS
2326-89-8- Standard SMILES
CC1(C)CCC[C@]2(C)[C@H]3C(=O)OCC3=CC[C@@H]12- InChIKey
BQNSBENKJCLJGN-ZOWXZIJZSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Overview
Drimenin is a naphthofuran.
Names & identifiers
- Preferred name
- Drimenin
- IUPAC
- (5aS,9aS,9bR)-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-3H-benzo[g][2]benzofuran-1-one
- English name
- (-)-Drimenin
- Molecular formula
- C15H22O2
- Molecular weight
- 234.33
Names & synonyms
Drimenin(-)-DrimeninDrimenin [MI]2326-89-8UNII-Z8JC838JKOZ8JC838JKO(5aS,9aS,9bR)-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-3H-benzo[g][2]benzofuran-1-oneCHEBI:4715Naphtho(1,2-C)furan-1(3H)-one, 5,5a,6,7,8,9,9a,9b-octahydro-6,6,9a-trimethyl-, (5aS,9aS,9bR)-Naphtho[1,2-c]furan-1(3H)-one, 5,5a,6,7,8,9,9a,9b-octahydro-6,6,9a-trimethyl-, (5aS,9aS,9bR)-C09399CHEMBL457165
Show more names
(5aS)-5,5aα,6,7,8,9,9a,9bα-Octahydro-6,6,9aβ-trimethylnaphtho[1,2-c]furan-1(3H)-one
SCHEMBL7620450DTXSID50331770BDBM50465350Q27106445(5aS,9aS,9bR)-6,6,9a-Trimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-1(3H)-one
Database identifiers
- CAS
2326-89-8- PubChem CID
- 442202
- DTXSID
DTXSID50331770- ChEMBL
CHEMBL457165
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Melting point
- 133 ° · 133°
- alpha
- -42 ° · D -42° (c = 0.76 in benzene); D25 -35.8° (chloroform)
- Boiling point
- 358.8 · 358.8±31.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- FDA UNII
- 8 JC838JKO · Z8JC838JKO
Chemistry & industry
Additional notes
DefinitionChEBI: Drimenin is a naphthofuran.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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