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

• ChemBase ID: 185780
• Molecular Formular: C23H19BrO2
• Molecular Mass: 407.29976
• Monoisotopic Mass: 406.05684185
• SMILES: c12c3c(oc4c3cc(cc4)Br)CC[C@@](c1cc(o2)C)(c1ccccc1)C
• Canonical SMILES: Brc1ccc2c(c1)c1c(o2)CC[C@](c2c1oc(c2)C)(C)c1ccccc1
• InChI: InChI=1S/C23H19BrO2/c1-14-12-18-22(25-14)21-17-13-16(24)8-9-19(17)26-20(21)10-11-23(18,2)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3/t23-/m1/s1
• InChIKey: BUAAQHLVLQKLNS-HSZRJFAPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7R)-15-bromo-4,7-dimethyl-7-phenyl-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)-15-bromo-4,7-dimethyl-7-phenyl-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: 164241690
• PubChem CID: 2244740

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.3008046
• LogD (pH = 7.4): 6.3008046
• Log P: 6.3008046
• Molar Refractivity: 117.7245 cm^3
• Polarizability: 43.008152 Å^3
• Polar Surface Area: 26.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds