(2R,5S,15R)-2,15-dimethyl-14-octyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-yl pentanoate

• ChemBase ID: 184151
• Molecular Formular: C32H54O2
• Molecular Mass: 470.76996
• Monoisotopic Mass: 470.41238097
• SMILES: [C@@]12(C(=CCC3C1CC[C@]1(C3CCC1CCCCCCCC)C)C[C@@H](OC(=O)CCCC)CC2)C
• Canonical SMILES: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)CCCC
• InChI: InChI=1S/C32H54O2/c1-5-7-9-10-11-12-13-24-16-18-28-27-17-15-25-23-26(34-30(33)14-8-6-2)19-21-32(25,4)29(27)20-22-31(24,28)3/h15,24,26-29H,5-14,16-23H2,1-4H3/t24?,26-,27?,28?,29?,31+,32-/m0/s1
• InChIKey: HJPRFXLYHWGFAI-CJYRUBSZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,5S,15R)-2,15-dimethyl-14-octyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-7-en-5-yl pentanoate
• IUPAC Traditional name: (2R,5S,15R)-2,15-dimethyl-14-octyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-7-en-5-yl pentanoate

Database IDs

• PubChem SID: 164240061
• PubChem CID: 16395899

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.458787
• LogD (pH = 7.4): 9.458787
• Log P: 9.458787
• Molar Refractivity: 143.7017 cm^3
• Polarizability: 57.316917 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds