8,13,14-trimethyl-4-(3,4,5-trimethoxyphenyl)-3,11-dioxatricyclo[8.4.0.02,7]tetradeca-1,7,9,13-tetraene-6,12-dione

• ChemBase ID: 220525
• Molecular Formular: C24H24O7
• Molecular Mass: 424.44316
• Monoisotopic Mass: 424.15220311
• SMILES: c12c3c(C(=O)CC(O3)c3cc(c(c(c3)OC)OC)OC)c(cc2oc(=O)c(c1C)C)C
• Canonical SMILES: COc1c(OC)cc(cc1OC)C1CC(=O)c2c(O1)c1c(cc2C)oc(=O)c(c1C)C
• InChI: InChI=1S/C24H24O7/c1-11-7-17-21(12(2)13(3)24(26)31-17)23-20(11)15(25)10-16(30-23)14-8-18(27-4)22(29-6)19(9-14)28-5/h7-9,16H,10H2,1-6H3
• InChIKey: OXSJRBSHZLLKDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8,13,14-trimethyl-4-(3,4,5-trimethoxyphenyl)-3,11-dioxatricyclo[8.4.0.0^2,^7]tetradeca-1,7,9,13-tetraene-6,12-dione
• IUPAC Traditional name: 8,13,14-trimethyl-4-(3,4,5-trimethoxyphenyl)-3,11-dioxatricyclo[8.4.0.0^2,^7]tetradeca-1,7,9,13-tetraene-6,12-dione

Database IDs

• PubChem SID: 164276435
• PubChem CID: 17572325

CALCULATED PROPERTIES

• Acid pKa: 14.436744
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.6412704
• LogD (pH = 7.4): 3.6412704
• Log P: 3.6412704
• Molar Refractivity: 113.9076 cm^3
• Polarizability: 43.847836 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds