4b,5,6,7,8,8a,9,10-Octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-2-phenanthrenol
Basic information
- CAS
411239-21-9- Standard SMILES
CC(C)c1c(O)ccc2c1CCC1C(C)(C)CCCC21C- InChIKey
ZRVDANDJSTYELM-UHFFFAOYSA-N- Molecular formula
- C20H30O
- Average molar mass
- 286.5 g/mol
- Monoisotopic mass
- 286.22966558
Overview
(+)-Totarol is a diterpenoid.
Names & identifiers
- Preferred name
- 4b,5,6,7,8,8a,9,10-Octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-2-phenanthrenol
- IUPAC
- 4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
- English name
- 8,11,13-Totaratrien-13-ol - Thuja plicata (western red cedar)
- Molecular formula
- C20H30O
- Molecular weight
- 286.45
Names & synonyms
411239-21-94b,5,6,7,8,8a,9,10-Octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-2-phenanthrenolRefChem:912843trans-TotarolNSC 299936; trans-Totarol;TotarolTOTAROL (B637832K176)Podocarpa-8,11,13-trien-13-ol, 14-isopropyl-SCHEMBL1839596CHEMBL1999971CHEBI:188167ZRVDANDJSTYELM-UHFFFAOYSA-NNSC299936
Show more names
2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-
AKOS015916457NCI60_002516XT170624DB-051898Podocarpa-8,13-trien-13-ol, 14-isopropyl-14-Isopropylpodocarpa-8,11,13-trien-13-ol #Q678801438,11,13-Totaratrien-13-ol - Thuja plicata (western red cedar)
Database identifiers
- CAS
411239-21-9、511-15-9- PubChem CID
- 326995
- ChEMBL
CHEMBL1999971- ChEBI
CHEBI:188167
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 369.4 · 369.4±31.0 °C(Predicted)
- Density
- 0.988 · 0.988±0.06 g/cm3(Predicted)
- pka
- 10.9 · 10.90±0.60(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: (+)-Totarol is a diterpenoid.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…