(2R,10R,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,14-dione

• ChemBase ID: 206951
• Molecular Formular: C19H26O2
• Molecular Mass: 286.40854
• Monoisotopic Mass: 286.19328007
• SMILES: [C@@]12(C(=CC(=O)CC2)CC[C@@H]2C1CC[C@]1(C2CCC1=O)C)C
• Canonical SMILES: O=C1CC[C@]2(C(=C1)CC[C@@H]1C2CC[C@]2(C1CCC2=O)C)C
• InChI: InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15?,16?,18-,19-/m0/s1
• InChIKey: AEMFNILZOJDQLW-XBSBRVCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,10R,15S)-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-ene-5,14-dione
• IUPAC Traditional name: (2R,10R,15S)-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-ene-5,14-dione

Database IDs

• PubChem SID: 164262861
• PubChem CID: 16401731

CALCULATED PROPERTIES

• Acid pKa: 19.028997
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.928951
• LogD (pH = 7.4): 3.928951
• Log P: 3.928951
• Molar Refractivity: 83.6075 cm^3
• Polarizability: 32.712193 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds