(2R,10R,14R,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-5-one

• ChemBase ID: 204149
• Molecular Formular: C19H26O2
• Molecular Mass: 286.40854
• Monoisotopic Mass: 286.19328007
• SMILES: [C@@]12(C(=CC(=O)C=C2)CC[C@@H]2C1CC[C@]1(C2CC[C@H]1O)C)C
• Canonical SMILES: O=C1C=C[C@]2(C(=C1)CC[C@@H]1C2CC[C@]2(C1CC[C@H]2O)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/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15?,16?,17+,18-,19-/m0/s1
• InChIKey: RSIHSRDYCUFFLA-PGNHTBHQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,10R,14R,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-3,6-dien-5-one
• IUPAC Traditional name: (2R,10R,14R,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-3,6-dien-5-one

Database IDs

• PubChem SID: 164260059
• PubChem CID: 16401069

CALCULATED PROPERTIES

• Acid pKa: 18.86361
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3632467
• LogD (pH = 7.4): 3.3632467
• Log P: 3.3632467
• Molar Refractivity: 85.5231 cm^3
• Polarizability: 33.02064 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds