3-[(2S,3R,4S,6S)-3,4-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]-2-Hydroxy-6-[(4E,6E,14E,16E,18E)-3-Hydroxy-8-(Hydroxymethyl)-2,6,10,12,14,18,20-Heptamethyldocosa-4,6,14,16,18-Pentaen-2-Yl]Pyran-4-One
[CAS# 146935-35-5]

Identification

• Name: 3-[(2S,3R,4S,6S)-3,4-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]-2-Hydroxy-6-[(4E,6E,14E,16E,18E)-3-Hydroxy-8-(Hydroxymethyl)-2,6,10,12,14,18,20-Heptamethyldocosa-4,6,14,16,18-Pentaen-2-Yl]Pyran-4-One
• Synonyms: 3-[(2S,3R,4S,6S)-3,4-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]-2-Hydroxy-6-[(3E,5E,13E,15E,17E)-2-Hydroxy-7-(Hydroxymethyl)-1,1,5,9,11,13,17,19-Octamethyl-Henicosa-3,5,13,15,17-Pentaenyl]Pyran-4-One; 3-[(2S,3R,4S,6S)-3,4-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]-2-Hydroxy-6-[(3E,5E,13E,15E,17E)-2-Hydroxy-7-(Hydroxymethyl)-1,1,5,9,11,13,17,19-Octamethylhenicosa-3,5,13,15,17-Pentaenyl]-4-Pyranone; 3-[(2S,3R,4S,6S)-3,4-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]-2-Hydroxy-6-[(3E,5E,13E,15E,17E)-2-Hydroxy-1,1,5,9,11,13,17,19-Octamethyl-7-Methylol-Henicosa-3,5,13,15,17-Pentaenyl]Pyran-4-One
• Molecular Formula: C₄₁H₆₄O₉
• Molecular Weight: 700.95
• CAS Registry Number: 146935-35-5 (146935-36-6)
• SMILES: [C@H]1(O[C@@H](C[C@H](O)[C@H]1O)CO)C2=C(OC(=CC2=O)C(C(O)\C=C\C(=C\C(CC(CC(C\C(=C\C=C\C(=C\C(CC)C)C)C)C)C)CO)C)(C)C)O
• InChI: 1S/C41H64O9/c1-10-25(2)16-26(3)12-11-13-27(4)17-29(6)18-30(7)20-31(23-42)19-28(5)14-15-35(46)41(8,9)36-22-33(44)37(40(48)50-36)39-38(47)34(45)21-32(24-43)49-39/h11-16,19,22,25,29-32,34-35,38-39,42-43,45-48H,10,17-18,20-21,23-24H2,1-9H3/b12-11+,15-14+,26-16+,27-13+,28-19+/t25?,29?,30?,31?,32-,34-,35?,38+,39-/m0/s1
• InChIKey: XBOURDXDRVZWJC-CKGFFVAASA-N

Properties

• Density: 1.14g/cm³ (Cal.)
• Boiling point: 859.608°C at 760 mmHg (Cal.)
• Flash point: 252.543°C (Cal.)