5-(3,4-dimethoxyphenyl)-9,9-dimethyl-17-phenyl-3,8,14-trioxatetracyclo[11.4.0.02,6.07,12]heptadeca-1,4,6,12,16-pentaen-15-one

• ChemBase ID: 219009
• Molecular Formular: C30H26O6
• Molecular Mass: 482.52384
• Monoisotopic Mass: 482.17293855
• SMILES: c12c3c(c4c(c2oc(=O)cc1c1ccccc1)CCC(O4)(C)C)c(co3)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)c1coc2c1c1OC(C)(C)CCc1c1c2c(cc(=O)o1)c1ccccc1
• InChI: InChI=1S/C30H26O6/c1-30(2)13-12-19-27-25(20(15-24(31)35-27)17-8-6-5-7-9-17)29-26(28(19)36-30)21(16-34-29)18-10-11-22(32-3)23(14-18)33-4/h5-11,14-16H,12-13H2,1-4H3
• InChIKey: MFRISQPRWFQGKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3,4-dimethoxyphenyl)-9,9-dimethyl-17-phenyl-3,8,14-trioxatetracyclo[11.4.0.0^2,^6.0^7,^1^2]heptadeca-1,4,6,12,16-pentaen-15-one
• IUPAC Traditional name: 5-(3,4-dimethoxyphenyl)-9,9-dimethyl-17-phenyl-3,8,14-trioxatetracyclo[11.4.0.0^2,^6.0^7,^1^2]heptadeca-1,4,6,12,16-pentaen-15-one

Database IDs

• PubChem SID: 164274919
• PubChem CID: 16408937

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.731502
• LogD (pH = 7.4): 5.731502
• Log P: 5.731502
• Molar Refractivity: 145.4358 cm^3
• Polarizability: 54.748524 Å^3
• Polar Surface Area: 67.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds