(E,2S,4R,8S)-8-[(2S,5R,7S,9R,10R)-2-[(2R,4S,7R,10R)-2-[(2S,3S,5S,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyloxan-2-Yl]-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-9-[(2R,5S,6R)-5-Methoxy-6-Methyloxan-2-Yl]Oxy-2,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,4,6-Trimethyl-5-Oxonon-6-Enoic Acid
[CAS# 73522-76-6]

Identification

• Name: (E,2S,4R,8S)-8-[(2S,5R,7S,9R,10R)-2-[(2R,4S,7R,10R)-2-[(2S,3S,5S,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyloxan-2-Yl]-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-9-[(2R,5S,6R)-5-Methoxy-6-Methyloxan-2-Yl]Oxy-2,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,4,6-Trimethyl-5-Oxonon-6-Enoic Acid
• Synonyms: (E,2S,4R,8S)-8-[(2S,5R,7S,9R,10R)-2-[(2R,4S,7R,10R)-2-[(2S,3S,5S,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-Tetrahydropyran-2-Yl]-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-9-[(2R,5S,6R)-5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,4,6-Trimethyl-5-Oxo-Non-6-Enoic Acid; (E,2S,4R,8S)-8-[(2S,5R,7S,9R,10R)-2-[(2R,4S,7R,10R)-2-[(2S,3S,5S,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-2-Tetrahydropyranyl]-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-9-[[(2R,5S,6R)-5-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,4,6-Trimethyl-5-Oxonon-6-Enoic Acid; (E,2S,4R,8S)-8-[(2S,5R,7S,9R,10R)-2-[(2R,4S,7R,10R)-2-[(2S,3S,5S,6R)-6-Hydroxy-3,5-Dimethyl-6-Methylol-Tetrahydropyran-2-Yl]-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-9-[(2R,5S,6R)-5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-5-Keto-2,4,6-Trimethyl-Non-6-Enoic Acid
• Molecular Formula: C₄₇H₇₈O₁₃
• Molecular Weight: 851.13
• CAS Registry Number: 73522-76-6
• SMILES: [C@H]5(OC4(O[C@@H]([C@]3(O[C@]2(O[C@@H](C[C@@H](O[C@@H]1O[C@@H]([C@@H](OC)CC1)C)[C@H]2C)[C@H](\C=C(C(=O)[C@@H](C[C@@H](C(=O)O)C)C)/C)C)CC3)C)CC[C@H]4C)[C@H](C5)C)[C@H]6O[C@](O)([C@H](C[C@@H]6C)C)CO
• InChI: 1S/C47H78O13/c1-25(19-26(2)41(49)27(3)20-29(5)43(50)51)36-23-37(55-40-16-14-35(53-12)34(10)54-40)33(9)46(56-36)18-17-44(11,60-46)39-15-13-30(6)47(58-39)32(8)22-38(57-47)42-28(4)21-31(7)45(52,24-48)59-42/h19,25,27-40,42,48,52H,13-18,20-24H2,1-12H3,(H,50,51)/b26-19+/t25-,27+,28-,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,42-,44-,45-,46+,47?/m0/s1
• InChIKey: LQFPDTISEHAMNQ-XCLCCWLOSA-N

Properties

• Density: 1.189g/cm³ (Cal.)
• Boiling point: 875.487°C at 760 mmHg (Cal.)
• Flash point: 245.424°C (Cal.)