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129683-93-8

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Basic Information
CAS No.: 129683-93-8
Name: artonin E
Molecular Structure:
Molecular Structure of 129683-93-8 (artonin E)
Formula: C25H24O7
Molecular Weight: 436.461
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;
Density: 1.359 g/cm3
Melting Point: 240-242 °C
Boiling Point: 698.7 °C at 760 mmHg
Flash Point: 241.5 °C
PSA: 120.36000
LogP: 4.97530
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  • artonin E

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    129683-93-8

    artonin E

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    Zhenyu biotech exported this product to many countries and regions at best price. if you are looking for the material's manufacturer or supplier in china, zhenyu biotech is your best choice. pls contact with us freely for getting detailed

    Welcome to Taizhou Zhenyu Biotech Co.,LTD , Sister Company of Ningbo Zhenlei Chemical co.,ltd ,is a rapid growing company , We are one of TOP supplier and manufactuer of Human APIs

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  • Artonin E

  • Casno:

    129683-93-8

    Artonin E

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    Chengdu Push Bio-technology Co., Ltd. provides more than 4,000 natural monomeric substances, including approximately 6,000 products at different grades, specifications and purities. We have specialized in the R&D of medicinally active ingredients sta

    We are a professional manufacturer and customizer of herbal and botanical ingredients,working with many research institutes, analytic laboratories, chemical and pharmaceutical comp

  • Chengdu Push Bio-technology Co., Ltd

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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