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

• ChemBase ID: 181673
• Molecular Formular: C19H32O2
• Molecular Mass: 292.45618
• Monoisotopic Mass: 292.24023026
• SMILES: [C@]12(C3[C@H](C4[C@](CC3)([C@@H](CC4)O)C)CC[C@H]1C[C@@H](CC2)O)C
• Canonical SMILES: O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1C2CC[C@]2(C1CC[C@H]2O)C)C
• InChI: InChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15?,16?,17+,18-,19-/m0/s1
• InChIKey: CBMYJHIOYJEBSB-HCWYLYGQSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164237583
• PubChem CID: 16395259

CALCULATED PROPERTIES

• Acid pKa: 18.296396
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.2037566
• LogD (pH = 7.4): 3.2037568
• Log P: 3.2037568
• Molar Refractivity: 84.6312 cm^3
• Polarizability: 34.047752 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds