(4aS,10aS)-1,2,3,4,4a,5,6,9,10,10a-Decahydro-1,1,4a-trimethyl-7-(1-methylethyl)phenanthrene
Basic information
- CAS
41577-36-0- Standard SMILES
CC(C)C1=CC2=C(CC1)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2- InChIKey
KEQXEEMBFONZBL-AZUAARDMSA-N- Molecular formula
- C20H32
- Average molar mass
- 272.5 g/mol
- Monoisotopic mass
- 272.25040102
Overview
Palustradiene is a diterpenoid.
Names & identifiers
- Preferred name
- (4aS,10aS)-1,2,3,4,4a,5,6,9,10,10a-Decahydro-1,1,4a-trimethyl-7-(1-methylethyl)phenanthrene
- IUPAC
- (4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene
- English name
- (4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydro phenanthrene
- Molecular formula
- C20H32
- Molecular weight
- 0
Names & synonyms
Palustradiene41577-36-0(4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthreneDTXSID10332102(4aS,10aS)-7-isopropyl-1,1,4a-trimethyl-2,3,4,5,6,9,10,10a-octahydrophenanthreneRefChem:1050463DTXCID20283196(4aS,10aS)-1,2,3,4,4a,5,6,9,10,10a-Decahydro-1,1,4a-trimethyl-7-(1-methylethyl)phenanthreneC118818,13-AbietadieneAbieta-8,13-dieneAC1L9EQE
Show more names
SCHEMBL21683296CHEBI:29659KEQXEEMBFONZBL-AZUAARDMSA-NQ27110212(4As,10as)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydro phenanthrene(4aS,10aS)-7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrenePhenanthrene, 1,2,3,4,4a,5,6,9,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS,10aS)-Phenanthrene, 1,2,3,4,4a,5,6,9,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-
Database identifiers
- CAS
41577-36-0- PubChem CID
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 460
Chemistry & industry
Additional notes
DefinitionChEBI: Palustradiene is a diterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…