(14E,15S)-14-(hydroxyimino)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-5-ol

• ChemBase ID: 185334
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: [C@@]12(C(C3C(c4c(CC3)cc(cc4)O)CC2)CC/C/1=N\O)C
• Canonical SMILES: O/N=C/1\CCC2[C@]1(C)CCC1C2CCc2c1ccc(c2)O
• InChI: InChI=1S/C18H23NO2/c1-18-9-8-14-13-5-3-12(20)10-11(13)2-4-15(14)16(18)6-7-17(18)19-21/h3,5,10,14-16,20-21H,2,4,6-9H2,1H3/b19-17+/t14?,15?,16?,18-/m0/s1
• InChIKey: XLJMBRPBVDJBPJ-VPAPAYBOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (14E,15S)-14-(hydroxyimino)-15-methyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-2(7),3,5-trien-5-ol
• IUPAC Traditional name: (14E,15S)-14-(hydroxyimino)-15-methyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-2(7),3,5-trien-5-ol

Database IDs

• PubChem SID: 164241244
• PubChem CID: 16396257

CALCULATED PROPERTIES

• Acid pKa: 10.285715
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.3183904
• LogD (pH = 7.4): 4.317946
• Log P: 4.3185086
• Molar Refractivity: 82.9041 cm^3
• Polarizability: 32.10624 Å^3
• Polar Surface Area: 52.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds