Basic information
- CAS
24035-48-1- Standard SMILES
C[C@]1(C=O)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12- InChIKey
MROWYOUQEGYCEJ-GVDBMIGSSA-N- Molecular formula
- C17H22O2
- Average molar mass
- 258.35 g/mol
Names & identifiers
- Preferred name
- (1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde
- IUPAC
- (1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde
- English name
- 12-Hydroxypodocarpa-8,11,13-trien-19-al
- Molecular formula
- C17H22O2
- Molecular weight
- 258.36
Names & synonyms
Podocarpal12-Hydroxypodocarpa-8,11,13-trien-19-al1-Phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-, (1S,4aS,10aR)-
Database identifiers
- CAS
24035-48-1- Nikkaji
- J111.434D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Boiling point
- 394.724 · 394.724±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.289 · 10.289±0.60(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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