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76-78-8

76-78-8 Structure

76-78-8 Structure
IdentificationBack Directory
[Name]

QUASSIN
[CAS]

76-78-8
[Synonyms]

Balsam
QUASSIN
Nsc 36342
Alloquassin
4-epiquassin
Quassin (>
QUASSINPOWDER
Quassin (~90%)
Quassin (>95%)
Einecs 200-985-9
Reaxys ID: 1357246
PYROGALLIC ACID (RG)
11,16-trione,2,12-dimethoxy-picrasa-12-diene-1
2,12-Dimethoxypicrasa-2,12-diene-1,11,16-trione
Picrasa-2,12-diene-1,11,16-trione, 2,12-dimethoxy-
Quassin, mixture of isomers w/Neoquassin and Isoquassin
Quassin (Mixture of Quassin, Isoquassin and Neoquassin)
Quassin - isomeric mixture of isoquassin, neoquassin and quassin
(3aS,6aR,7aS,8S,11aS,11bS,11cS)-1,3a,4,5,6a,7,7a,8,11,11a,11b,11c-dodecahydro-2,10-dimethoxy-3,8,11a
(3As,6ar,7as,8S,11as,11bs,11cs)-1,3A,4,5,6A,7,7A,8,11,11A,11B,11C-dodecahydro-2,10-dimethoxy-3,8,11A,11C-tetramethyldibenzo(de,G)chromene-1,5,11-trione
[EINECS(EC#)]

200-985-9
[Molecular Formula]

C22H28O6
[MDL Number]

MFCD00016884
[MOL File]

76-78-8.mol
[Molecular Weight]

388.45
Chemical PropertiesBack Directory
[Melting point ]

222°
[alpha ]

D20 +34.5° (c = 5.09 in CHCl3)
[Boiling point ]

586.3±50.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Optical Rotation]

+34.520 (c 5.09, CHCl3)
[Cosmetics Ingredients Functions]

DENATURANT
[InChIKey]

IOSXSVZRTUWBHC-LBTVDEKVSA-N
[SMILES]

C1(=O)[C@]2([C@](C[C@@]3([C@@]4([C@@]2(C(=O)C(OC)=C(C)[C@]4([H])CC(=O)O3)[H])C)[H])([H])[C@H](C)C=C1OC)C
[LogP]

2.220 (est)
[EPA Substance Registry System]

Picrasa-2,12-diene-1,11,16-trione, 2,12-dimethoxy- (76-78-8)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H332-H319-H312
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Uses]

Quassin is a naturally occurring extract from quassia trees and is used in traditional chinese medicine for its antiulcerogenic properties. Quassin have also been used as an additive in soft drinks.
[Definition]

ChEBI: Quassin is a triterpenoid.
[in vivo]

Quassin (0.1-2.0 mg/kg; oral administration; daily; for 60 days; females albino rats) treatment shows a significant decrease in the weight of the ovary and uterus. And also shows a significant decrease in serum estrogen levels in quassin treated rats. The Quassin treated rats has a significantly decreased mean litter number and weight. Quassin does not adversely affect the weight of the kidney, heart, liver and the body of the rats[1].

Animal Model:35 females albino rats (150-170 g)[1]
Dosage:0.1 mg/kg, 1.0 mg/kg and 2.0 mg/kg
Administration:Oral administration; daily; for 60 days
Result:There was a significant decrease in the weight of the ovary and uterus in all the groups relative to the control. There was also a significant decrease in serum estrogen levels in quassin treated rats.
[IC 50]

Plasmodium
[storage]

-20°C
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