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Gentiopicrin
Gentiopicrin / CAS : 20831-76-9
| Appearance | White Powder | UN | 0 |
| HS | 29389090 | DG Class | 0 |
| Synonyms | Gentiopicroside; Gentiopicroside, >=98% (HPLC); Gentiopicrin,(S); (3S,4R)-4-Ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)oxan-2-yl]oxy-4,6-Dihydro-3H-Pyrano[3,4-c]Pyran-8-one; (5R,6S)-6-((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yloxy)-5-Vinyl-5,6-Dihydropyrano[3,4-c]Pyran-1(3H)-one; 1H,3H-Pyrano(3,4-c)Pyran-1-one, 5-Ethenyl-6-(beta-D-Glucopyranosyloxy)-5,6-Dihydro-, (5R-Trans)-; (5R-Trans)-6-(b-D-Glucopyranosyloxy)-5,6-Dihydro-5-Vinyl-1H,3H-Pyrano[3,4-c]Pyran-1-one; (5beta-Trans)-6-(beta-D-Glucopyranosyloxy)-5,6-Dihydro-5-Vinyl-1H,3H-Pyrano[3,4-c]Pyran-1-one; (5R,6S)-5-Ethenyl-6-(.BETA.-D-Glucopyranosyloxy)-5,6-Dihydro-1H,3H-Pyrano(3,4-C)Pyran-1-ONE; (5R,6S)-5-Ethenyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)oxan-2-yl]oxy}-1H,3H,5H,6H-Pyrano[3,4-c]Pyran-1-one; (5R,6S)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)oxy)-5-Vinyl-5,6-Dihydropyrano[3,4-c]Pyran-1(3H)-one; (5R-Trans)-6-(beta-D-Glucopyranosyloxy)-5,6-Dihydro-5-Vinyl-1H,3H-Pyrano(3,4-c)Pyran-1-one; 1H,3H-Pyrano[3,4-c]Pyran-1-one, 5-Ethenyl-6-(beta-D-Glucopyranosyloxy)-5,6-Dihydro-, (5R,6S)- | ||
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RFQ
Properties
Summary
Formula
C16H20O9
Molecular Mass
356.32500
Exact Mass
356.11100
PSA
134.91000
Logp
-1.67150
IUPAC
(3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
SMILES
C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Attribute classification
Matter Classification
organic
Category
Plant and Other Extracts > Plant Extracts
Chemical and Physical Properties
Melting Point
191°C
Density
1.52 g/cm3
Boiling Point
667.8ºC at 760 mmHg
Flash Point
247.1ºC
Appearance
White Powder
Export information
HS Code
29389090
Export Rebate
13%
UN No.
0
DG-Class
0
Risk Code
R22
Safety Label
Xn
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