Basic information
- CAS
15340-76-8- Standard SMILES
CC1(C)CCCC2(C)c3cc(O)ccc3CCC12- InChIKey
DVRNZIIXOYTWET-UHFFFAOYSA-N- Molecular formula
- C17H24O
- Average molar mass
- 244.37 g/mol
- Monoisotopic mass
- 244.18271539
Names & identifiers
- Preferred name
- Podocarpa-8,11,13-trien-12-ol
- IUPAC
- 4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
- English name
- 3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-, (4bS,8aS)-
- Molecular formula
- C17H24O
- Molecular weight
- 244.37
Names & synonyms
PODOCARPA-8,11,13-TRIEN-12-OL15340-76-8DTXSID9093474412-Methoxy-19-norpodocarpa-8,11,13-triene3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-, (4bS-trans)-RefChem:174995DTXCID201363386DVRNZIIXOYTWET-UHFFFAOYSA-N4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-, (4bS,8aS)-(4bS)-4bα-Methyl-8,8-dimethyl-4b,5,6,7,8,8aβ,9,10-octahydrophenanthrene-3-ol
Database identifiers
- CAS
15340-76-8- PubChem CID
- 27205
- DTXSID
DTXSID90934744
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 140 °C · 140 °C(Solvent: Methanol; Hexane)
- Boiling point
- 355.309 · 355.309±31.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.019 · 1.019±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.357 · 10.357±0.60(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-, (4bS,8aS)-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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