(7R)-7-(4-methoxyphenyl)-4,7,15-trimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene

• ChemBase ID: 185754
• Molecular Formular: C25H24O3
• Molecular Mass: 372.45626
• Monoisotopic Mass: 372.17254463
• SMILES: c12c3c(oc4c3cc(cc4)C)CC[C@@](c1cc(o2)C)(c1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)[C@@]1(C)CCc2c(c3c1cc(o3)C)c1c(o2)ccc(c1)C
• InChI: InChI=1S/C25H24O3/c1-15-5-10-21-19(13-15)23-22(28-21)11-12-25(3,20-14-16(2)27-24(20)23)17-6-8-18(26-4)9-7-17/h5-10,13-14H,11-12H2,1-4H3/t25-/m1/s1
• InChIKey: QRWHMOSHKHAPLG-RUZDIDTESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7R)-7-(4-methoxyphenyl)-4,7,15-trimethyl-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)-4,7,15-trimethyl-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: 164241664
• PubChem CID: 2255330

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.887802
• LogD (pH = 7.4): 5.887802
• Log P: 5.887802
• Molar Refractivity: 121.6061 cm^3
• Polarizability: 44.72511 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