CAS No.5957-80-2,CARNOSOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5957-80-2
Name:	CARNOSOL
Article Data:	7

Formula:	C₂₀H₂₆O₄
Molecular Weight:	330.424
Synonyms:	2H-9,4a-(Epoxymethano)phenanthren-12-one,1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)-,[4aR-(4aa,9a,10ab)]-;Picrosalvin (6CI);Podocarpa-8,11,13-trien-17-oic acid, 7b,11,12-trihydroxy-13-isopropyl-,17,7-lactone (7CI,8CI);Carnosol;NSC 39143;
Density:	1.26 g/cm³
Melting Point:	240～242℃
Boiling Point:	524.8 °C at 760 mmHg
Flash Point:	187 °C
Solubility:	Soluble in 100% ethanol (8mg/ml), DMSO (250mg/ml) or dimethyl formamide (35mg/ml); sparingly soluble in aqueous PBS, 7.2 (<30μg/ml).
Appearance:	White to beige solid.
Safety:	24/25
PSA:	66.76000
LogP:	4.28690

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Specification

The Carnosol, with the CAS registry number 5957-80-2, has the systematic name of (5β,7α)-11,12-dihydroxy-7,20-epoxyabieta-8,11,13-trien-20-one. It belongs to the following product categories: Miscellaneous Natural Products; Antioxidant; Biochemicals Found in Plants; Nutrition Research. And the molecular formula of the chemical is C₂₀H₂₆O₄.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 44.76 Å²; (7)Index of Refraction: 1.606; (8)Molar Refractivity: 90.3 cm³; (9)Molar Volume: 261.6 cm³; (10)Polarizability: 35.79×10^-24cm³; (11)Surface Tension: 55.7 dyne/cm; (12)Density: 1.26 g/cm³; (13)Flash Point: 187 °C; (14)Enthalpy of Vaporization: 82.88 kJ/mol; (15)Boiling Point: 524.8 °C at 760 mmHg; (16)Vapour Pressure: 1.24E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2O[C@@H]4c1cc(c(O)c(O)c1[C@]23CCCC([C@@H]3C4)(C)C)C(C)C
(2)InChI: InChI=1/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
(3)InChIKey: XUSYGBPHQBWGAD-PJSUUKDQBN