[(1R,9R)-6,8,9-trimethyl-4-(2-phenylethyl)-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-(propan-2-yl)carbamate

• ChemBase ID: 181830
• Molecular Formular: C24H35NO3
• Molecular Mass: 385.5396
• Monoisotopic Mass: 385.26169399
• SMILES: [C@]12([C@H](C(C(=CC1C)C)C(OC2)CCc1ccccc1)C)COC(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)OC[C@]12COC(C([C@@H]2C)C(=CC1C)C)CCc1ccccc1)C
• InChI: InChI=1S/C24H35NO3/c1-16(2)25-23(26)28-15-24-14-27-21(12-11-20-9-7-6-8-10-20)22(19(24)5)17(3)13-18(24)4/h6-10,13,16,18-19,21-22H,11-12,14-15H2,1-5H3,(H,25,26)/t18?,19-,21?,22?,24-/m1/s1
• InChIKey: FCPKYEAPHJRRQX-PLIXUWJQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R,9R)-6,8,9-trimethyl-4-(2-phenylethyl)-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-(propan-2-yl)carbamate
• IUPAC Traditional name: [(1R,9R)-6,8,9-trimethyl-4-(2-phenylethyl)-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-isopropylcarbamate

Database IDs

• PubChem SID: 164237740
• PubChem CID: 16395297

CALCULATED PROPERTIES

• Acid pKa: 15.59619
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.8605204
• LogD (pH = 7.4): 4.8605204
• Log P: 4.8605204
• Molar Refractivity: 113.0962 cm^3
• Polarizability: 44.2977 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomers
• Classification: Derivatives & analogs of Natural Compounds