(1S,2S,3E,11E,13R)-2-Hydroxy-7-Methyl-15-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-6-Oxabicyclo[11.3.0]Hexadeca-3,11-Dien-5-One
[CAS# 156663-50-2]

Identification

• Name: (1S,2S,3E,11E,13R)-2-Hydroxy-7-Methyl-15-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-6-Oxabicyclo[11.3.0]Hexadeca-3,11-Dien-5-One
• Synonyms: (1S,2S,3E,11E,13R)-2-Hydroxy-7-Methyl-15-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-6-Oxabicyclo[11.3.0]Hexadeca-3,11-Dien-5-One; (1S,2S,3E,11E,13R)-2-Hydroxy-7-Methyl-15-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-6-Oxabicyclo[11.3.0]Hexadeca-3,11-Dien-5-One; (1S,2S,3E,11E,13R)-2-Hydroxy-7-Methyl-15-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-6-Oxabicyclo[11.3.0]Hexadeca-3,11-Dien-5-One
• Molecular Formula: C₂₂H₃₄O₉
• Molecular Weight: 442.51
• CAS Registry Number: 156663-50-2
• SMILES: [C@@H]23[C@H](CC(O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)C2)\C=C\CCCC(OC(=O)/C=C/[C@@H]3O)C
• InChI: 1S/C22H34O9/c1-12-5-3-2-4-6-13-9-14(10-15(13)16(24)7-8-18(25)29-12)30-22-21(28)20(27)19(26)17(11-23)31-22/h4,6-8,12-17,19-24,26-28H,2-3,5,9-11H2,1H3/b6-4+,8-7+/t12?,13-,14?,15-,16-,17+,19-,20-,21+,22+/m0/s1
• InChIKey: WMQPIXSJUDBUIO-HPOHLNNVSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 696.686°C at 760 mmHg (Cal.)
• Flash point: 238.624°C (Cal.)