Basic information
- CAS
55090-42-1- Standard SMILES
CC1(C)CCCC2(C)c3ccccc3CCC12- InChIKey
HOJLWWVMRBERAQ-UHFFFAOYSA-N- Molecular formula
- C17H24
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.18780077
Names & identifiers
- Preferred name
- Podocarpa-8,11,13-triene
- IUPAC
- 1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene
- English name
- 1,2,3,4,4a,9,10,10aβ-Octahydro-1,1,4aβ-trimethylphenanthrene
- Molecular formula
- C17H24
- Molecular weight
- 228.37
Names & synonyms
podocarpa-8,11,13-trieneHOJLWWVMRBERAQ-UHFFFAOYSA-NDTXSID901352221Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-, (4as-trans)-Phenanthrene, 1,2,3,4,4a,9,10,10a.alpha.-octahydro-1,1,4a.beta.-trimethyl-55090-42-1(5β)-Podocarpa-8,11,13-triene1,2,3,4,4a,9,10,10aβ-Octahydro-1,1,4aβ-trimethylphenanthrenePhenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-
Database identifiers
- CAS
55090-42-1- PubChem CID
- 583174
- DTXSID
DTXSID901352221- Nikkaji
- J129.144K
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 108 · 108-110 °C(Press: 0.05 Torr)
- Density
- 0.946 · 0.946±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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