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CAS No.: | 580-72-3 |
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Name: | MATAIRESINOL |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C20H22O6 |
Molecular Weight: | 358.391 |
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; |
EINECS: | 200-258-5 |
Density: | 1.29 g/cm3 |
Melting Point: | 119~120℃ |
Boiling Point: | 593 °C at 760 mmHg |
Flash Point: | 212.3 °C |
Safety: | 24/25 |
PSA: | 85.22000 |
LogP: | 2.68940 |
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