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2(3H)-Furanone,dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4R)-

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Name

2(3H)-Furanone,dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4R)-

EINECS 200-258-5
CAS No. 580-72-3 Density 1.29 g/cm3
PSA 85.22000 LogP 2.68940
Solubility N/A Melting Point 119~120℃
Formula C20H22O6 Boiling Point 593 °C at 760 mmHg
Molecular Weight 358.391 Flash Point 212.3 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 580-72-3 (MATAIRESINOL) Hazard Symbols N/A
Synonyms

2(3H)-Furanone, dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R-trans)-;(αR,βR)-α,β-Bis(4-hydroxy-3-methoxybenzyl)butyrolactone;3R,4R-Bis((4-hydroxy-3-methoxyphenyl)methyl)dihydro-2(3H)-furanone;Artigenin congener;Dibenzylbutyrolactone lignanolide;

Article Data 18

2(3H)-Furanone,dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4R)- Specification

The 2(3H)-Furanone,dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4R)-, with the CAS registry number 580-72-3, is also known as Dibenzylbutyrolactone lignanolide. It belongs to the product category of Miscellaneous Natural Products. This chemical's molecular formula is C20H22O6 and molecular weight is 358.39. What's more, its IUPAC name is (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one. Its storage temperature is 2-8°C. When you are using this chemical, please be cautious about it. You should avoid contact with skin and eyes.

Physical properties of 2(3H)-Furanone,dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4R)- are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.47; (6)ACD/BCF (pH 7.4): 11.42; (7)ACD/KOC (pH 5.5): 199.59; (8)ACD/KOC (pH 7.4): 198.67; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 63.22 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 95.63 cm3; (15)Molar Volume: 277.7 cm3; (16)Polarizability: 37.91×10-24cm3; (17)Surface Tension: 55.3 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 212.3 °C; (20)Enthalpy of Vaporization: 91.69 kJ/mol; (21)Boiling Point: 593 °C at 760 mmHg; (22)Vapour Pressure: 1.17E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC[C@H](Cc1cc(OC)c(O)cc1)[C@H]2Cc3ccc(O)c(OC)c3
(2)Std. InChI: InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
(3)Std. InChIKey: MATGKVZWFZHCLI-LSDHHAIUSA-N

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