Dipterocarpol
Basic information
- CAS
471-69-2- Standard SMILES
CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C- InChIKey
NJICGAVMYWKCMW-GWJXCKMPSA-N- Molecular formula
- C30H50O2
- Average molar mass
- 442.7 g/mol
- Monoisotopic mass
- 442.38108083
Overview
Dipterocarpol is a triterpenoid. It contains a dammarane.
Names & identifiers
- Preferred name
- Dipterocarpol
- IUPAC
- (5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- DIPTEROCARPOL
- Molecular formula
- C30H50O2
- Molecular weight
- 442.72
Names & synonyms
Dipterocarpol471-69-2(5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-onehydroxydammarenone II(5R,8R,9R,10R,13R,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one(5R,8R,9R,10R,13R,14R,17S)-17-((1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-one(5R,8R,9R,10R,13R,14R,17S)-17-((2S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-oneRefChem:13487320-Hydroxydammar-24-en-3-oneDipterocarpol, 98%CHEBI:4652CHEMBL224816
Show more names
Aids046605Aids-046605DipterocaprolBorneol ketoneHydroxydamarenone ii20-Hydroxydammara-24-ene-3-one
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 791
Physicochemical properties
- Melting point
- 133 · 133-135 °C(lit.)
- Boiling point
- 527.3 · 527.3±23.0 °C(Predicted)
- Density
- 0.99 · 0.990±0.06 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 15.06 · 15.06±0.29(Predicted)
- LogP
- 8.77 · 8.770 (est)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Applications
UsesDipterocarpol is an extract from Dipterocarpol alatus, an antibacterial against methicillin-resistant staphylococcus aureus (mrsa). Dipterocarpus has been used for the treatment of external wounds and skin diseases in traditional medicine.
Additional notes
DefinitionChEBI: Dipterocarpol is a triterpenoid. It contains a dammarane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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