(2R,5S,10R,14S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-ene-5,14-diol

• ChemBase ID: 184176
• Molecular Formular: C19H30O2
• Molecular Mass: 290.4403
• Monoisotopic Mass: 290.2245802
• SMILES: [C@@]12(C(=CC[C@@H]3C1CC[C@]1(C3CC[C@@H]1O)C)C[C@H](CC2)O)C
• Canonical SMILES: O[C@H]1CC[C@]2(C(=CC[C@@H]3C2CC[C@]2(C3CC[C@@H]2O)C)C1)C
• InChI: InChI=1S/C19H30O2/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/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15?,16?,17-,18-,19-/m0/s1
• InChIKey: QADHLRWLCPCEKT-HFTLVWAASA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164240086
• PubChem CID: 16395906

CALCULATED PROPERTIES

• Acid pKa: 18.20429
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7981772
• LogD (pH = 7.4): 2.7981772
• Log P: 2.7981772
• Molar Refractivity: 85.4812 cm^3
• Polarizability: 33.808178 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds