(7R)-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene

• ChemBase ID: 185841
• Molecular Formular: C24H22O3
• Molecular Mass: 358.42968
• Monoisotopic Mass: 358.15689456
• SMILES: c12c3c(oc4c3cccc4)CC[C@@](c1cc(o2)C)(c1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)[C@@]1(C)CCc2c(c3c1cc(o3)C)c1c(o2)cccc1
• InChI: InChI=1S/C24H22O3/c1-15-14-19-23(26-15)22-18-6-4-5-7-20(18)27-21(22)12-13-24(19,2)16-8-10-17(25-3)11-9-16/h4-11,14H,12-13H2,1-3H3/t24-/m1/s1
• InChIKey: LTYILOHSLAANKL-XMMPIXPASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7R)-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.0^2,^6.0^1^2,^1^7]heptadeca-1(10),2(6),4,12,14,16-hexaene
• IUPAC Traditional name: (7R)-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.0^2,^6.0^1^2,^1^7]heptadeca-1(10),2(6),4,12,14,16-hexaene

Database IDs

• PubChem SID: 164241751
• PubChem CID: 1070281

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3743806
• LogD (pH = 7.4): 5.3743806
• Log P: 5.3743806
• Molar Refractivity: 116.5649 cm^3
• Polarizability: 42.961357 Å^3
• Polar Surface Area: 35.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds