[(2S,7S,14Z,15S)-5-(acetyloxy)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-14-ylidene]amino acetate

• ChemBase ID: 186707
• Molecular Formular: C23H35NO4
• Molecular Mass: 389.5283
• Monoisotopic Mass: 389.25660861
• SMILES: [C@]12(C3C(C4[C@@](/C(=N\OC(=O)C)/CC4)(CC3)C)CC[C@H]1CC(OC(=O)C)CC2)C
• Canonical SMILES: CC(=O)O/N=C\1/CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=O)C
• InChI: InChI=1S/C23H35NO4/c1-14(25)27-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(24-28-15(2)26)23(19,4)12-10-20(18)22/h16-20H,5-13H2,1-4H3/b24-21-/t16-,17?,18?,19?,20?,22-,23-/m0/s1
• InChIKey: GLZBXEUOJGEPEI-ZCWRHFTGSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242617
• PubChem CID: 16396645

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.360704
• LogD (pH = 7.4): 4.3607817
• Log P: 4.3607826
• Molar Refractivity: 105.9336 cm^3
• Polarizability: 42.441795 Å^3
• Polar Surface Area: 64.96 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds