(1R,3aS,4R,6aS)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan

• ChemBase ID: 306332
• Molecular Formular: C22H26O6
• Molecular Mass: 386.43824
• Monoisotopic Mass: 386.17293855
• SMILES: C1O[C@H]([C@H]2[C@@H]1[C@@H](OC2)c1ccc(c(c1)OC)OC)c1ccc(c(c1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m1/s1
• InChIKey: PEUUVVGQIVMSAW-DJDZNOHASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,3aS,4R,6aS)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan
• IUPAC Traditional name: (1R,3aS,4R,6aS)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan
• Synonyms: (-)-Eudesmin; Eudesmin

Database IDs

• CAS Number: 526-06-7

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.5695477
• LogD (pH = 7.4): 2.5695477
• Log P: 2.5695477
• Molar Refractivity: 104.0648 cm^3
• Polarizability: 40.97449 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Optical Rotation: -62