1,1-O-(4,6-Dihydroxy-1,2-Phenylenemethylene)-4-O-[6-O-(1-Oxo-2,4-Decadienyl)-beta-D-Galactopyranosyl]-alpha-D-Glucopyranose 3-(7-Hydroxy-8,14-Dimethylhexadeca-2,4,8,10-Tetraenoate)
[CAS# 61036-46-2]

Identification

• Name: 1,1-O-(4,6-Dihydroxy-1,2-Phenylenemethylene)-4-O-[6-O-(1-Oxo-2,4-Decadienyl)-beta-D-Galactopyranosyl]-alpha-D-Glucopyranose 3-(7-Hydroxy-8,14-Dimethylhexadeca-2,4,8,10-Tetraenoate)
• Synonyms: [5'-[6-[[(2E,4E)-Deca-2,4-Dienoyl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-3',4,6-Trihydroxy-6'-(Hydroxymethyl)Spiro[1H-Isobenzofuran-3,2'-Tetrahydropyran]-4'-Yl] (2E,4E,8E,10E)-7-Hydroxy-8,14-Dimethyl-Hexadeca-2,4,8,10-Tetraenoate; (2E,4E,8E,10E)-7-Hydroxy-8,14-Dimethylhexadeca-2,4,8,10-Tetraenoic Acid [3',4,6-Trihydroxy-6'-(Hydroxymethyl)-5'-[[3,4,5-Trihydroxy-6-[[(2E,4E)-1-Oxodeca-2,4-Dienoxy]Methyl]-2-Tetrahydropyranyl]Oxy]-4'-Spiro[1H-Isobenzofuran-3,2'-Tetrahydropyran]Yl] Ester; (2E,4E)-Deca-2,4-Dienoic Acid [3,4,5-Trihydroxy-6-[4,5',6-Trihydroxy-4'-[(2E,4E,8E,10E)-7-Hydroxy-8,14-Dimethyl-Hexadeca-2,4,8,10-Tetraenoyl]Oxy-2'-Methylol-Spiro[1H-Isobenzofuran-3,6'-Tetrahydropyran]-3'-Yl]Oxy-Tetrahydropyran-2-Yl]Methyl Ester
• Molecular Formula: C₄₇H₆₆O₁₆
• Molecular Weight: 887.03
• CAS Registry Number: 61036-46-2
• SMILES: C1=C4C(=C(O)C=C1O)C3(OC(C(OC2OC(C(O)C(O)C2O)COC(=O)\C=C\C=C\CCCCC)C(OC(=O)\C=C\C=C\CC(O)C(=C/C=C/CCC(CC)C)/C)C3O)CO)OC4
• InChI: 1S/C47H66O16/c1-5-7-8-9-10-11-17-22-37(52)58-28-36-40(54)41(55)42(56)46(60-36)62-43-35(26-48)63-47(39-31(27-59-47)24-32(49)25-34(39)51)45(57)44(43)61-38(53)23-18-13-16-21-33(50)30(4)20-15-12-14-19-29(3)6-2/h10-13,15-18,20,22-25,29,33,35-36,40-46,48-51,54-57H,5-9,14,19,21,26-28H2,1-4H3/b11-10+,15-12+,16-13+,22-17+,23-18+,30-20+
• InChIKey: DPVWBQZOSHCQTG-AOHSDRNLSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 1038.39°C at 760 mmHg (Cal.)
• Flash point: 298.707°C (Cal.)