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1H,3H-Furo[3,4-c]furan,1-(3,4-dimethoxyphenyl)tetrahydro-4-(3,4,5-trimethoxyphenyl)-, (1S,3aR,4S,6aR)- (31008-18-1)

Identification
Name:1H,3H-Furo[3,4-c]furan,1-(3,4-dimethoxyphenyl)tetrahydro-4-(3,4,5-trimethoxyphenyl)-, (1S,3aR,4S,6aR)-
Synonyms:1H,3H-Furo[3,4-c]furan,1-(3,4-dimethoxyphenyl)tetrahydro-4-(3,4,5-trimethoxyphenyl)-, [1S-(1a,3aa,4a,6aa)]-;1H,3H-Furo[3,4-c]furan, 1a-(3,4-dimethoxyphenyl)-3aa,4,6,6aa-tetrahydro-4a-(3,4,5-trimethoxyphenyl)-, (+)-(8CI);(+)-Magnolin;Magnolin;Medioresinol dimethyl ether;
CAS:31008-18-1
Molecular Formula: C23H28O7
Molecular Weight: 0
InChI: InChI=1/C23H28O7/c1-24-17-7-6-13(8-18(17)25-2)21-15-11-30-22(16(15)12-29-21)14-9-19(26-3)23(28-5)20(10-14)27-4/h6-10,15-16,21-22H,11-12H2,1-5H3/t15-,16-,21+,22+/m0/s1
Molecular Structure: (C23H28O7) 1H,3H-Furo[3,4-c]furan,1-(3,4-dimethoxyphenyl)tetrahydro-4-(3,4,5-trimethoxyphenyl)-, [1S-(1a,3aa,4a...
Properties
Flash Point: 215.6°C
Boiling Point: 536.9°Cat760mmHg
Density:1.178g/cm3
Refractive index:1.541
Specification:

The Magnolin with the CAS number 31008-18-1 is also called 1H,3H-Furo[3,4-c]furan,1-(3,4-dimethoxyphenyl)tetrahydro-4-(3,4,5-trimethoxyphenyl)-, (1S,3aR,4S,6aR)-. The systematic name is (1S,3aR,4S,6aR)-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan. Its molecular formula is C23H28O7. The product category is Miscellaneous Natural Products.

The properties of the Magnolin are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 75.95; (6)ACD/BCF (pH 7.4): 75.95; (7)ACD/KOC (pH 5.5): 772.17; (8)ACD/KOC (pH 7.4): 772.17; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 64.61Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 111.21 cm3; (15)Molar Volume: 353.4 cm3; (16)Polarizability: 44.08×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Enthalpy of Vaporization: 78.32 kJ/mol; (19)Vapour Pressure: 4.66×10-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O4[C@H](c1ccc(OC)c(OC)c1)[C@@H]2[C@@H]([C@H](OC2)c3cc(OC)c(OC)c(OC)c3)C4
(2)InChI: InChI=1/C23H28O7/c1-24-17-7-6-13(8-18(17)25-2)21-15-11-30-22(16(15)12-29-21)14-9-19(26-3)23(28-5)20(10-14)27-4/h6-10,15-16,21-22H,11-12H2,1-5H3/t15-,16-,21+,22+/m0/s1
(3)InChIKey: MFIHSKBTNZNJIK-RZTYQLBFBO

Flash Point: 215.6°C
Safety Data
 

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