(6E,8R,14E,16R)-2,3,6,11,12,14-hexamethoxy-8,16-diphenyldispiro[4.3.49.35]hexadeca-2,6,11,14-tetraene-1,4,10,13-tetrone

• ChemBase ID: 304065
• Molecular Formular: C34H32O10
• Molecular Mass: 600.61188
• Monoisotopic Mass: 600.19954722
• SMILES: C12(C(=C[C@@H](C3(C(=C[C@@H]1c1ccccc1)OC)C(=O)C(=C(C3=O)OC)OC)c1ccccc1)OC)C(=O)C(=C(C2=O)OC)OC
• Canonical SMILES: COC1=C[C@H](c2ccccc2)C2(C(=C[C@@H](C31C(=O)C(=C(C3=O)OC)OC)c1ccccc1)OC)C(=O)C(=C(C2=O)OC)OC
• InChI: InChI=1S/C34H32O10/c1-39-23-17-21(19-13-9-7-10-14-19)34(31(37)27(43-5)28(44-6)32(34)38)24(40-2)18-22(20-15-11-8-12-16-20)33(23)29(35)25(41-3)26(42-4)30(33)36/h7-18,21-22H,1-6H3/b23-17+,24-18+/t21-,22-/m1/s1
• InChIKey: OASRMBZSJNAYKB-PEFZSZSLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6E,8R,14E,16R)-2,3,6,11,12,14-hexamethoxy-8,16-diphenyldispiro[4.3.4^9.3^5]hexadeca-2,6,11,14-tetraene-1,4,10,13-tetrone
• IUPAC Traditional name: (6E,8R,14E,16R)-2,3,6,11,12,14-hexamethoxy-8,16-diphenyldispiro[4.3.4^9.3^5]hexadeca-2,6,11,14-tetraene-1,4,10,13-tetrone
• Synonyms: Linderaspirone A

Database IDs

• CAS Number: 1235126-46-1

CALCULATED PROPERTIES

• H Acceptors: 10
• H Donor: 0
• LogD (pH = 5.5): 3.0059512
• LogD (pH = 7.4): 3.0059512
• Log P: 3.0059512
• Molar Refractivity: 166.2496 cm^3
• Polarizability: 61.7766 Å^3
• Polar Surface Area: 123.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Yellow powder

Product Information

• Purity: 98.5