Cas no 151140-40-8 (Swertiapunimarin)
Swertiapunimarin structure
Product Name:Swertiapunimarin
CAS No:151140-40-8
MF:C22H32O14
MW:520.481088638306
CID:165260
PubChem ID:192515
Update Time:2024-02-29
Swertiapunimarin Chemical and Physical Properties
Names and Identifiers
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- 1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-6-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-4,4a,5,6-tetrahydro-, (4aS,5R,6S)- (9CI)
- 1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-6-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-4,...
- 1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-6-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-4,4a,5,6-tetrahydro-, (4aS,5R,6S)
- (4aS,5R,6S)-5-ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
- 1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-4,4a,5,6-tetrahydro-, (4aS-(4aalpha,5beta,6alpha))-
- 6'-O-Glucopyranosylsweroside
- Swertiapunimarin
- 5-Ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-hexopyranosylhexopyranoside
- 6'-O-glucopyranosyl-sweroside
- (3S,4R,4aS)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one
- 151140-40-8
- DTXSID20934176
- (-)-Swertiapunimarin
-
- Inchi: 1S/C22H32O14/c1-2-8-9-3-4-31-19(30)10(9)6-32-20(8)36-22-18(29)16(27)14(25)12(35-22)7-33-21-17(28)15(26)13(24)11(5-23)34-21/h2,6,8-9,11-18,20-29H,1,3-5,7H2/t8-,9+,11-,12-,13-,14-,15+,16+,17-,18-,20+,21-,22+/m1/s1
- InChI Key: LILOLDYAQAFVGN-DFOQSZTGSA-N
- SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)O)O[C@H]1[C@H](C=C)[C@H]2C(C(=O)OCC2)=CO1
Computed Properties
- Exact Mass: 520.17920569g/mol
- Monoisotopic Mass: 520.17920569g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 36
- Rotatable Bond Count: 7
- Complexity: 821
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 13
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 214
- XLogP3: -3.1
Swertiapunimarin Related Literature
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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