(6E)-8-(9-Hydroxy-2-{2-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethylperhydro-2H-pyran-2-yl]-9-(5-methoxy-6-methylperhydro-2H-pyran-2-yloxy)-4,10-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-2,4,6-trimethyl-5-oxonon-6-enoic acid
[CAS# 35865-33-9]

Identification

• Name: (6E)-8-(9-Hydroxy-2-{2-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethylperhydro-2H-pyran-2-yl]-9-(5-methoxy-6-methylperhydro-2H-pyran-2-yloxy)-4,10-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-2,4,6-trimethyl-5-oxonon-6-enoic acid
• Synonyms: (E)-8-[9-Hydroxy-2-[2-[6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyloxan-2-Yl]-9-(5-Methoxy-6-Methyloxan-2-Yl)Oxy-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,4,6-Trimethyl-5-Oxonon-6-Enoic Acid; 8-[9-Hydroxy-2-[2-[6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-Tetrahydropyran-2-Yl]-9-(5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,4,6-Trimethyl-5-Oxo-Non-6-Enoic Acid; (E)-8-[9-Hydroxy-2-[2-[6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-Tetrahydropyran-2-Yl]-9-(5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,4,6-Trimethyl-5-Oxo-Non-6-Enoic Acid
• Molecular Formula: C₄₇H₇₈O₁₄
• Molecular Weight: 867.12
• CAS Registry Number: 35865-33-9
• SMILES: C(O)C6(OC(C5OC4(OC(C2(OC1(OC(C(C(O)C1)C)C(\C=C(C(=O)C(CC(C(=O)O)C)C)/C)C)CC2)C)CC(OC3OC(C(OC)CC3)C)C4C)C(C5)C)C(CC6C)C)O
• InChI: 1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-31(8)34(49)22-45(59-41)16-15-44(11,61-45)38-21-36(56-39-14-13-35(54-12)33(10)55-39)32(9)47(58-38)30(7)20-37(57-47)42-27(4)19-29(6)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17+
• InChIKey: FELYAZAWTURXNF-JJIBRWJFSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 910.268°C at 760 mmHg (Cal.)
• Flash point: 256.427°C (Cal.)