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Molecule
Ampelopsin
CAS: 27200-12-0 · C15H12O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 27200-12-0
- Molecular Formula
- C15H12O8
- Molecular Mass
- 320.25 g/mol
Identifiers
CAS Registry Number
27200-12-0
SMILES
O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O
InChI Key
KJXSIXMJHKAJOD-LSDHHAIUSA-N
InChI
InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1
Names and Synonyms
- Ampelopsin Common Name
- 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R,3R)- Synonym
- Flavanone, 3,3′,4′,5,5′,7-hexahydroxy- Synonym
- 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)- Synonym
- Ampelopsin Synonym
- (2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one Synonym
- Dihydromyricetin Synonym
- Ampelopsin (flavanol) Synonym
- Ampeloptin Synonym
- (+)-Dihydromyricetin Synonym
- (+)-Ampelopsin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 320.25 g/mol | CAS Common Chemistry |
| 320.253 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ampelopsin | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C(O)=CC(O)=CC2OC(C3=CC(O)=C(O)C(O)=C3)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=KJXSIXMJHKAJOD-LSDHHAIUSA-N | CAS Common Chemistry |
| Melting Point | 239-241 °C | CAS Common Chemistry |
| Name | (+)-Dihydromyricetin | CAS Common Chemistry |
| Ampelopsin | CAS Common Chemistry | |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 147.68 Ų | RDKit |
| LogP | 0.8919000000000001 | RDKit |
| 0.8919 | RDKit | |
| Molar Refractivity | 74.9143 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 320.05321734399996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 320.25 g/mol. Edit any field — others recompute live.
