Pteroside C
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Basic information
- CAS
35910-17-9- Standard SMILES
Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@H](C)[C@H]2O- InChIKey
VKDMMOFAMUXTQZ-AKMQMZFLSA-N- Molecular formula
- C20H28O8
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.17841785
Names & identifiers
- Preferred name
- Pteroside C
- IUPAC
- (2R,3R)-3-hydroxy-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one
- English name
- PTEROSINC
- Molecular formula
- C20H28O8
- Molecular weight
- 396.43
Names & synonyms
Pteroside C35910-17-9(2R-trans)-6-(2-(beta-D-Glucopyranosyloxy)ethyl)-2,3-dihydro-2-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one1H-Inden-1-one, 6-(2-(beta-D-glucopyranosyloxy)ethyl)-2,3-dihydro-2-(hydroxymethyl)-2,5,7-trimethyl-, (2R-trans)-6-(2-(beta-D-glucopyranosyloxy)ethyl)-2,3-dihydro-2-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one (2R-trans)-(2R,3R)-3-hydroxy-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one(2R,3R)-3-hydroxy-2,5,7-trimethyl-6-(2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyethyl)-2,3-dihydroinden-1-oneRefChem:177125CHEMBL5278532SCHEMBL29717668DTXSID70957330BDBM50610538
Show more names
PTEROSINC(2R,3R)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-3-hydroxy-2,5,7-trimetyl-1-indanone(2R,3R)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-3-hydroxy-2,5,7-trimethyl-1-indanone(2R)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-2,3-dihydro-3β-hydroxy-2α,5,7-trimethyl-1H-inden-1-one
2-(1-Hydroxy-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl)ethyl hexopyranoside2-[(1R,2R)-1-Hydroxy-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl beta-D-glucopyranoside
Database identifiers
- CAS
35910-17-9- PubChem CID
- 169728
- DTXSID
DTXSID70957330- ChEMBL
CHEMBL5278532- Nikkaji
- J1.033B
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 556
Physicochemical properties
- Boiling point
- 662.685 · 662.685±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.416 · 1.416±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.926 · 12.926±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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