(4aS,4bS,10aS)-1,2,3,4,4a,4b,5,9,10,10a-Decahydro-1,1,4a-trimethyl-7-(1-methylethyl)phenanthrene
Basic information
- CAS
122712-77-0- Standard SMILES
CC(C)C1=CC[C@H]2C(=C1)CC[C@H]1C(C)(C)CCC[C@]21C- InChIKey
ASPVQUYRFYUDSC-CMKODMSKSA-N- Molecular formula
- C20H32
- Average molar mass
- 272.5 g/mol
- Monoisotopic mass
- 272.25040102
Overview
Abieta-8(14),12-diene is an abietadiene.
Names & identifiers
- Preferred name
- (4aS,4bS,10aS)-1,2,3,4,4a,4b,5,9,10,10a-Decahydro-1,1,4a-trimethyl-7-(1-methylethyl)phenanthrene
- IUPAC
- (4aS,4bS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene
- English name
- Phenanthrene,1,2,3,4,4a,4b,5,9,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-,(4aS,4bS,10aS)-
- Molecular formula
- C20H32
- Molecular weight
- 272.47
Names & synonyms
Levopimaradiene122712-77-0DTXSID90332100RefChem:1050464DTXCID00283194(4aS,4bS,10aS)-1,2,3,4,4a,4b,5,9,10,10a-Decahydro-1,1,4a-trimethyl-7-(1-methylethyl)phenanthreneabieta-8(14),12-diene(4aS,4bS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthreneent-abieta-8(14),12-dieneSCHEMBL29391021CHEBI:29616ASPVQUYRFYUDSC-CMKODMSKSA-N
Show more names
Phenanthrene,1,2,3,4,4a,4b,5,9,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-,(4aS,4bS,10aS)-
LMPR0104050007Q27110181(4aS,4bS,10aS)-7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrenePhenanthrene, 1,2,3,4,4a,4b,5,9,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS,4bS,10aS)-Phenanthrene, 1,2,3,4,4a,4b,5,9,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, [4aS-(4a.alpha.,4b.beta.,10a.beta.)]-
Database identifiers
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 449
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
Physicochemical properties
- Boiling point
- 351.4 · 351.4±9.0 °C(Predicted)
- Density
- 0.93 · 0.93±0.1 g/cm3(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Abieta-8(14),12-diene is an abietadiene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…