(1R,10R)-5,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11(16),12,14-hexaene

• ChemBase ID: 305782
• Molecular Formular: C17H16O4
• Molecular Mass: 284.30654
• Monoisotopic Mass: 284.10485899
• SMILES: c1(ccc2c(c1)OC[C@@H]1[C@H]2Oc2c1ccc(c2)OC)OC
• Canonical SMILES: COc1ccc2c(c1)OC[C@@H]1[C@H]2Oc2c1ccc(c2)OC
• InChI: InChI=1S/C17H16O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8,14,17H,9H2,1-2H3/t14-,17-/m0/s1
• InChIKey: VPGIGLKLCFOWDN-YOEHRIQHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,10R)-5,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0^2,^7.0^1^1,^1^6]heptadeca-2,4,6,11(16),12,14-hexaene
• IUPAC Traditional name: (1R,10R)-5,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0^2,^7.0^1^1,^1^6]heptadeca-2,4,6,11(16),12,14-hexaene
• Synonyms: Homopterocarpin

Database IDs

• CAS Number: 606-91-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6551175
• LogD (pH = 7.4): 2.6551175
• Log P: 2.6551175
• Molar Refractivity: 77.5434 cm^3
• Polarizability: 30.29133 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil