Back to Search
(-)-Sweroside
CAS: 14215-86-2 | C16H22O9
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14215-86-2
Molecular Formula:
C16H22O9
Molecular Mass:
358.34 g/mol
Names and Synonyms:
(-)-Sweroside
1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-, (4aS,5R,6S)-
Sweroside
1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-, [4aS-(4aα,5β,6α)]-
(4aS,5R,6S)-5-Ethenyl-6-(β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one
(-)-Sweroside
Identifiers:
SMILES:
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21
InChI:
InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1
Key Properties
Melting Point
98-100 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 358.34 g/mol | CAS Common Chemistry |
| 358.3430000000002 g/mol | RDKit | |
| 358.12638228399993 g/mol | RDKit | |
| Canonical SMILES | O=C1OCCC2C1=COC(OC3OC(CO)C(O)C(O)C3O)C2C=C | CAS Common Chemistry |
| InChI | InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VSJGJMKGNMDJCI-ZASXJUAOSA-N | CAS Common Chemistry |
| Melting Point | 98-100 °C | CAS Common Chemistry |
| Name | (-)-Sweroside | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 134.91 Ų | RDKit |
| LogP | -1.5915999999999988 | RDKit |
| Molar Refractivity | 80.56120000000001 | RDKit |
