Artonin E supplier | CasNO.129683-93-8

Name
artonin E
EINECS
CAS No. 129683-93-8
Density 1.359 g/cm³
Solubility
Melting Point 240-242 °C
Formula C₂₅H₂₄O₇
Boiling Point 698.7 °C at 760 mmHg
Molecular Weight 436.461
Flash Point 241.5 °C
Transport Information
Appearance
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-2-(2,4,5-trihydroxyphenyl)-4H,8H-pyrano[2,3-f]chromen-4-one;KB 3;
PSA 120.36000
LogP 4.97530

Artonin E Specification

The Artonin E, with the CAS registry number 129683-93-8, is also known as 5-Hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-2-(2,4,5-trihydroxyphenyl)-4H,8H-pyrano[2,3-f]chromen-4-one. This chemical's molecular formula is C₂₅H₂₄O₇ and molecular weight is 436.15. What's more, its IUPAC name is called 5-Hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one.

Physical properties about Artonin E are: (1)ACD/LogP: 5.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.51; (4)ACD/LogD (pH 7.4): 4.62; (5)ACD/BCF (pH 5.5): 8836.25; (6)ACD/BCF (pH 7.4): 1144.28; (7)ACD/KOC (pH 5.5): 22659.3; (8)ACD/KOC (pH 7.4): 2934.35; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 72.45 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 117.55 cm³; (15)Molar Volume: 321 cm³; (16)Surface Tension: 58.6 dyne/cm; (17)Density: 1.359 g/cm³; (18)Flash Point: 241.5 °C; (19)Enthalpy of Vaporization: 105.96 kJ/mol; (20)Boiling Point: 698.7 °C at 760 mmHg; (21)Vapour Pressure: 3.59E-20 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C3/C(=C(\Oc2c1\C=C/C(Oc1cc(O)c23)(C)C)c4cc(O)c(O)cc4O)C\C=C(/C)C
(2) InChI: InChI=1S/C25H24O7/c1-12(2)5-6-14-22(30)21-19(29)11-20-13(7-8-25(3,4)32-20)24(21)31-23(14)15-9-17(27)18(28)10-16(15)26/h5,7-11,26-29H,6H2,1-4H3
(3) InChIKey: HDHRTQZSBFUBMJ-UHFFFAOYSA-N

Product Name

artonin E

Artonin E Specification

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