(6R,7R)-5,5-dimethyl-6-{[(2Z)-2-methylbut-2-enoyl]oxy}-13-oxo-4,14-dioxatricyclo[8.4.0.03,8]tetradeca-1,3(8),9,11-tetraen-7-yl (2Z)-2-methylbut-2-enoate

• ChemBase ID: 201891
• Molecular Formular: C24H26O7
• Molecular Mass: 426.45904
• Monoisotopic Mass: 426.16785317
• SMILES: [C@H]1(c2c(OC([C@@H]1OC(=O)/C(=C\C)/C)(C)C)cc1oc(=O)ccc1c2)OC(=O)/C(=C\C)/C
• Canonical SMILES: C/C=C(\C(=O)O[C@@H]1c2cc3ccc(=O)oc3cc2OC([C@@H]1OC(=O)/C(=C\C)/C)(C)C)/C
• InChI: InChI=1S/C24H26O7/c1-7-13(3)22(26)29-20-16-11-15-9-10-19(25)28-17(15)12-18(16)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8-/t20-,21-/m1/s1
• InChIKey: LBKPHBYDOWPFMZ-IOWUNYDSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6R,7R)-5,5-dimethyl-6-{[(2Z)-2-methylbut-2-enoyl]oxy}-13-oxo-4,14-dioxatricyclo[8.4.0.0^3,^8]tetradeca-1,3(8),9,11-tetraen-7-yl (2Z)-2-methylbut-2-enoate
• IUPAC Traditional name: (6R,7R)-5,5-dimethyl-6-{[(2Z)-2-methylbut-2-enoyl]oxy}-13-oxo-4,14-dioxatricyclo[8.4.0.0^3,^8]tetradeca-1,3(8),9,11-tetraen-7-yl (2Z)-2-methylbut-2-enoate

Database IDs

• PubChem SID: 164257801
• PubChem CID: 15596613

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.239272
• LogD (pH = 7.4): 5.239272
• Log P: 5.239272
• Molar Refractivity: 115.208 cm^3
• Polarizability: 44.338097 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Genuine Natural Compounds