14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10,12,15,17,19(27),22,25,28-dodecaene-5,16,24-triol

• ChemBase ID: 129278
• Molecular Formular: C28H24O4
• Molecular Mass: 424.48776
• Monoisotopic Mass: 424.16745925
• SMILES: C1Cc2c(ccc(c2)O)c2c(cc(CCc3cc(c(cc3)O)Oc3ccc1cc3)cc2)O
• Canonical SMILES: Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(CCc3ccc2c(O)c3)ccc1O
• InChI: InChI=1S/C28H24O4/c29-22-9-13-24-21(17-22)8-3-18-4-10-23(11-5-18)32-28-16-20(7-14-26(28)30)2-1-19-6-12-25(24)27(31)15-19/h4-7,9-17,29-31H,1-3,8H2
• InChIKey: JMKSVONWZFVEAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 14-oxapentacyclo[20.2.2.2^1^0,^1^3.1^1^5,^1^9.0^2,^7]nonacosa-1(24),2(7),3,5,10,12,15,17,19(27),22,25,28-dodecaene-5,16,24-triol
• IUPAC Traditional name: 14-oxapentacyclo[20.2.2.2^1^0,^1^3.1^1^5,^1^9.0^2,^7]nonacosa-1(24),2(7),3,5,10,12,15,17,19(27),22,25,28-dodecaene-5,16,24-triol
• Synonyms: Riccardin C

Database IDs

• PubChem SID: 162223572
• PubChem CID: 10070992
• Chemspider ID: 8246532
• Wikipedia Title: Riccardin_C

CALCULATED PROPERTIES

• Acid pKa: 8.687372
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 7.309262
• LogD (pH = 7.4): 7.287698
• Log P: 7.309542
• Molar Refractivity: 125.9961 cm^3
• Polarizability: 49.377125 Å^3
• Polar Surface Area: 69.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false