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(+)-Quassin

(+)-Quassin structure

CAS No:
76-78-8
Formula:
C22H28O6
Chemical Name:
(+)-Quassin
Synonyms:
Picrasa-2,12-diene-1,11,16-trione,2,12-dimethoxy-;Phenanthro[10,1-bc]pyran-1,5,11(4H)-trione,3aβ,6aβ,7,7aα,8,11a,11bα,11c-octahydro-2,10-dimethoxy-3,8α,11aβ,11cβ-tetramethyl-;Quassin;Phenanthro[10,1-bc]pyran,picrasa-2,12-diene-1,11,16-trione deriv.;2,12-Dimethoxypicrasa-2,12-diene-1,11,16-trione;Nigakilactone D;Quassine;(+)-Quassin;NSC 36342;1405-17-0
Categories:
Cosmetic Ingredient > Denaturant

Description

Quassin (Nigakilactone D) is a bioactive triterpenoid from stem bark extract of Quassia amara. Quassin inhibits P. falciparum with an IC50 of 0.15 μM. Quassin possesses reversible antifertility, anti-estrogenic and anti-plasmodial activity[1][2].

Solid

(+)-Quassin Basic Attributes

Molecular Weight：

388.45

Exact Mass：

388.45

EC Number：

200-985-9

NSC Number：

36342

Characteristics

PSA：

78.9

XLogP3：

2.22

Appearance：

Solid

Density：

1.2±0.1 g/cm3

Melting Point：

222 °C

Boiling Point：

586.3±50.0 °C at 760 mmHg

Flash Point：

255.4±30.2 °C

Refractive Index：

1.553

Water Solubility：

566.3 mg/L @ 25 °C (est)

Specific rotation：

D20 +34.5° (c = 5.09 in CHCl3)

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, P501

Hazard Statements：

H302

GHS Classification：

Not Classified

Drug Information

MeSH Entry Terms：

quassin

(+)-Quassin Use and Manufacturing

Uses

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

Manufacturing Info：

Picrasa-2,12-diene-1,11,16-trione, 2,12-dimethoxy-: INACTIVE

Use Classification：

Cosmetics -> Denaturant

Computed Properties

Molecular Weight:388.5
XLogP3:2.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:388.18858861
Monoisotopic Mass:388.18858861
Topological Polar Surface Area:78.9
Heavy Atom Count:28
Complexity:838
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (+)-Quassin

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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(+)-Quassin

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