[(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl acetate

• ChemBase ID: 304296
• Molecular Formular: C24H30O7
• Molecular Mass: 430.4908
• Monoisotopic Mass: 430.1991533
• SMILES: [C@@H]1(Cc2ccc(c(c2)OC)OC)[C@@H]([C@H](OC1)c1ccc(c(c1)OC)OC)COC(=O)C
• Canonical SMILES: COc1ccc(cc1OC)C[C@H]1CO[C@@H]([C@H]1COC(=O)C)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C24H30O7/c1-15(25)30-14-19-18(10-16-6-8-20(26-2)22(11-16)28-4)13-31-24(19)17-7-9-21(27-3)23(12-17)29-5/h6-9,11-12,18-19,24H,10,13-14H2,1-5H3/t18-,19-,24+/m0/s1
• InChIKey: PPIRSWOCXJSZIK-AXHZCLLHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl acetate
• IUPAC Traditional name: [(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl acetate
• Synonyms: 9-O-Acetyl-4,4'-di-O-methyllariciresinol

Database IDs

• CAS Number: 73354-15-1

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.0382237
• LogD (pH = 7.4): 3.0382237
• Log P: 3.0382237
• Molar Refractivity: 115.3097 cm^3
• Polarizability: 45.39685 Å^3
• Polar Surface Area: 72.45 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil