(2S,7S,10R,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecane-5,14-dione

• ChemBase ID: 206980
• Molecular Formular: C19H28O2
• Molecular Mass: 288.42442
• Monoisotopic Mass: 288.20893014
• SMILES: [C@]12(C3[C@H](C4[C@@](C(=O)CC4)(CC3)C)CC[C@H]1CC(=O)CC2)C
• Canonical SMILES: O=C1CC[C@]2([C@H](C1)CC[C@@H]1C2CC[C@]2(C1CCC2=O)C)C
• InChI: InChI=1S/C19H28O2/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/h12,14-16H,3-11H2,1-2H3/t12-,14-,15?,16?,18-,19-/m0/s1
• InChIKey: RAJWOBJTTGJROA-STWISNAPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,7S,10R,15S)-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-5,14-dione
• IUPAC Traditional name: (2S,7S,10R,15S)-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-5,14-dione

Database IDs

• PubChem SID: 164262890
• PubChem CID: 16401739

CALCULATED PROPERTIES

• Acid pKa: 19.776207
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9747853
• LogD (pH = 7.4): 3.9747853
• Log P: 3.9747853
• Molar Refractivity: 82.7808 cm^3
• Polarizability: 32.952457 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