Tanshinaldehyde
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Basic information
- CAS
142694-58-4- Standard SMILES
CC1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C=O- InChIKey
JRMAMBGELPWLSV-UHFFFAOYSA-N- Molecular formula
- C19H18O4
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.12050905
Overview
Tanshinaldehyde has been reported in Salvia przewalskii with data available.
Names & identifiers
- Preferred name
- Tanshinaldehyde
- IUPAC
- 1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde
- English name
- tanshinaldehyde
- Molecular formula
- C19H18O4
- Molecular weight
- 310.34382
Names & synonyms
Tanshinaldehyde142694-58-41,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho(1,2-g)(1)benzofuran-6-carbaldehydeRefChem:187390DTXSID409316021,2,6,7,8,9,10,11-Octahydro-1,6-dimethyl-10,11-dioxophenanthro(1,2-b)furan-6-carboxaldehyde1,6-Dimethyl-10,11-dioxo-1,2,6,7,8,9,10,11-octahydrophenanthro[1,2-b]furan-6-carbaldehydePhenanthro(1,2-b)furan-6-carboxaldehyde, 1,2,6,7,8,9,10,11-octahydro-1,6-dimethyl-10,11-dioxo-
Database identifiers
- CAS
142694-58-4- PubChem CID
- 124268
- DTXSID
DTXSID40931602
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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