(2S)-2,3-Dihydro-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one
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Basic information
- CAS
35910-16-8- Standard SMILES
Cc1cc2c(c(C)c1CCO)C(=O)[C@](C)(CO)C2- InChIKey
BDZJLPDYMKPKGC-HNNXBMFYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Overview
Pterosin A has been reported in Microlepia substrigosa, Dennstaedtia scabra, and Pteridium aquilinum with data available.
Names & identifiers
- Preferred name
- (2S)-2,3-Dihydro-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one
- IUPAC
- (2S)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-one
- English name
- Pterosin A
- Molecular formula
- C15H20O3
- Molecular weight
- 248.32
Names & synonyms
Pterosin A35910-16-8(2S)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-oneRefChem:905862(2S)-2,3-Dihydro-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one(S)-2,3-Dihydro-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one(2S)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one(S)-6-(2-Hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one1H-Inden-1-one, 2,3-dihydro-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-, (S)-orb1991751CHEMBL3526691SCHEMBL13242312
Show more names
(S)-6-(2-Hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-1-indanone1H-Inden-1-one, 2,3-dihydro-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-, (2S)-
SCHEMBL29519495DTXSID60957329HY-N7912AKOS040735008DA-59662XP173000CS-0138791NS00066983
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 123 · 123-126 °C(Solv: chloroform (67-66-3); hexane (110-54-3))
- Boiling point
- 451.5 · 451.5±45.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 14.35 · 14.35±0.10(Predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesPterosin A is used for treating diabetes and obesity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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