(2S,7S,14Z,15S)-14-(hydroxyimino)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-ol

• ChemBase ID: 187519
• Molecular Formular: C19H31NO2
• Molecular Mass: 305.45494
• Monoisotopic Mass: 305.23547924
• SMILES: [C@]12(C3C(C4[C@@](/C(=N\O)/CC4)(CC3)C)CC[C@H]1CC(CC2)O)C
• Canonical SMILES: O/N=C\1/CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)O
• InChI: InChI=1S/C19H31NO2/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20-22)19(15,2)10-8-16(14)18/h12-16,21-22H,3-11H2,1-2H3/b20-17-/t12-,13?,14?,15?,16?,18-,19-/m0/s1
• InChIKey: CWINRPKWTQFSKW-UKMMHFJQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,7S,14Z,15S)-14-(hydroxyimino)-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-5-ol
• IUPAC Traditional name: (2S,7S,14Z,15S)-14-(hydroxyimino)-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-5-ol

Database IDs

• PubChem SID: 164243429
• PubChem CID: 16396839

CALCULATED PROPERTIES

• Acid pKa: 11.519101
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.7765527
• LogD (pH = 7.4): 3.7767289
• Log P: 3.7767644
• Molar Refractivity: 87.6306 cm^3
• Polarizability: 34.845753 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