(2S,7S,15S)-2,15-dimethyl-5-(oxan-2-yloxy)tetracyclo[8.7.0.02,7.011,15]heptadecan-14-ol

• ChemBase ID: 183346
• Molecular Formular: C24H40O3
• Molecular Mass: 376.5726
• Monoisotopic Mass: 376.29774514
• SMILES: [C@]12(C3C(C4[C@](CC3)(C(CC4)O)C)CC[C@H]1CC(OC1OCCCC1)CC2)C
• Canonical SMILES: OC1CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC1CCCCO1
• InChI: InChI=1S/C24H40O3/c1-23-12-10-17(27-22-5-3-4-14-26-22)15-16(23)6-7-18-19-8-9-21(25)24(19,2)13-11-20(18)23/h16-22,25H,3-15H2,1-2H3/t16-,17?,18?,19?,20?,21?,22?,23-,24-/m0/s1
• InChIKey: FBKABQAUROQJTI-HZWPPTJRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,7S,15S)-2,15-dimethyl-5-(oxan-2-yloxy)tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-ol
• IUPAC Traditional name: (2S,7S,15S)-2,15-dimethyl-5-(oxan-2-yloxy)tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-ol

Database IDs

• PubChem SID: 164239256
• PubChem CID: 16395682

CALCULATED PROPERTIES

• Acid pKa: 19.377705
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.7474504
• LogD (pH = 7.4): 4.7474504
• Log P: 4.7474504
• Molar Refractivity: 107.4159 cm^3
• Polarizability: 43.290825 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds