(10R,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadec-2(7)-en-5-one

• ChemBase ID: 207086
• Molecular Formular: C18H26O2
• Molecular Mass: 274.39784
• Monoisotopic Mass: 274.19328007
• SMILES: C12=C(CC(=O)CC2)CC[C@H]2C3[C@](CCC12)(C(CC3)O)C
• Canonical SMILES: O=C1CCC2=C(C1)CC[C@@H]1C2CC[C@]2(C1CCC2O)C
• InChI: InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-17,20H,2-10H2,1H3/t14?,15-,16?,17?,18+/m1/s1
• InChIKey: BAZGVDKAIHZPOH-NCPXRFHGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (10R,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-2(7)-en-5-one
• IUPAC Traditional name: (10R,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-2(7)-en-5-one

Database IDs

• PubChem SID: 164262996
• PubChem CID: 16401763

CALCULATED PROPERTIES

• Acid pKa: 16.301239
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.661973
• LogD (pH = 7.4): 2.6619732
• Log P: 2.6619732
• Molar Refractivity: 79.7114 cm^3
• Polarizability: 31.416986 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds