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Molecule
Syringin
CAS: 118-34-3 · C17H24O9
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 118-34-3
- Molecular Formula
- C17H24O9
- Molecular Mass
- 372.37 g/mol
Identifiers
CAS Registry Number
118-34-3
SMILES
COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI Key
QJVXKWHHAMZTBY-GCPOEHJPSA-N
InChI
InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
Names and Synonyms
- Syringin Synonym
- β-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]-2,6-dimethoxyphenyl Synonym
- Syringin Synonym
- β-D-Glucopyranoside, 4-(3-hydroxy-1-propenyl)-2,6-dimethoxyphenyl, (E)- Synonym
- β-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propenyl]-2,6-dimethoxyphenyl Synonym
- 4-[(1E)-3-Hydroxy-1-propen-1-yl]-2,6-dimethoxyphenyl β-D-glucopyranoside Synonym
- Ligustrin Synonym
- Lilacin Synonym
- Methoxyconiferine Synonym
- Syringoside Synonym
- Eleutheroside B Synonym
- Magnolenin Synonym
- Ilexanthin A Synonym
- Siringin Synonym
- NSC 287441 Synonym
- Sinapyl alcohol 4-O-glucoside Synonym
- Sinapyl alcohol β-glucoside Synonym
- (E)-Sinapyl alcohol 4-glucoside Synonym
- (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy] oxane-3,4,5-triol Synonym
- Syringin B Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 372.37 g/mol | CAS Common Chemistry |
| 372.37000000000006 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Syringin | CAS Common Chemistry |
| Canonical SMILES | OCC=CC1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QJVXKWHHAMZTBY-GCPOEHJPSA-N | CAS Common Chemistry |
| Melting Point | 189-190 °C | CAS Common Chemistry |
| Name | Syringin | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 138.07000000000002 Ų | RDKit |
| 138.07 Ų | RDKit | |
| LogP | -1.1120000000000008 | RDKit |
| -1.112 | RDKit | |
| Molar Refractivity | 90.06100000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5294 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 372.14203234799993 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 372.37 g/mol. Edit any field — others recompute live.
