(1S,9R)-17-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene

• ChemBase ID: 181884
• Molecular Formular: C16H14O2
• Molecular Mass: 238.28116
• Monoisotopic Mass: 238.09937969
• SMILES: [C@@H]12Oc3c([C@@H](Oc4c2cccc4)C1C)cccc3
• Canonical SMILES: CC1[C@@H]2Oc3c([C@@H]1Oc1c2cccc1)cccc3
• InChI: InChI=1S/C16H14O2/c1-10-15-11-6-2-4-8-13(11)17-16(10)12-7-3-5-9-14(12)18-15/h2-10,15-16H,1H3/t10?,15-,16+
• InChIKey: LOQYRSWVFIUHMT-QEPHCTRTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,9R)-17-methyl-8,16-dioxatetracyclo[7.7.1.0^2,^7.0^1^0,^1^5]heptadeca-2,4,6,10(15),11,13-hexaene
• IUPAC Traditional name: (1S,9R)-17-methyl-8,16-dioxatetracyclo[7.7.1.0^2,^7.0^1^0,^1^5]heptadeca-2,4,6,10(15),11,13-hexaene

Database IDs

• PubChem SID: 164237794
• PubChem CID: 6947306

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.620896
• LogD (pH = 7.4): 3.620896
• Log P: 3.620896
• Molar Refractivity: 68.8048 cm^3
• Polarizability: 27.181015 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds