3b-[[3-O,4-O-(2-Methylcyclohexylidene)-2,6-Dideoxy-beta-D-Ribo-Hexopyranosyl]Oxy]-5,14-Dihydroxy-19-Oxo-5b-Card-20(22)-Enolide
[CAS# 40279-44-5]

Identification

• Name: 3b-[[3-O,4-O-(2-Methylcyclohexylidene)-2,6-Dideoxy-beta-D-Ribo-Hexopyranosyl]Oxy]-5,14-Dihydroxy-19-Oxo-5b-Card-20(22)-Enolide
• Synonyms: (3R,5S,10S,13R,14S,17R)-3-[[(3Ar,6R)-2',4-Dimethyl-6-Spiro[4,6,7,7A-Tetrahydro-3Ah-[1,3]Dioxolo[4,5-D]Pyran-2,1'-Cyclohexane]Yl]Oxy]-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3R,5S,10S,13R,14S,17R)-3-[(3Ar,6R)-2',4-Dimethylspiro[4,6,7,7A-Tetrahydro-3Ah-[1,3]Dioxolo[4,5-D]Pyran-2,1'-Cyclohexane]-6-Yl]Oxy-5,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; 2-Methylcyclohexanonhelveticosid [German]
• Molecular Formula: C₃₆H₅₂O₉
• Molecular Weight: 628.80
• CAS Registry Number: 40279-44-5
• SMILES: [C@@]67(O)C1C([C@@]5([C@](O)(CC1)C[C@H](O[C@@H]3OC([C@H]2OC4(OC2C3)C(CCCC4)C)C)CC5)C=O)CC[C@@]6([C@H](CC7)C8=CC(OC8)=O)C
• InChI: 1S/C36H52O9/c1-21-6-4-5-11-36(21)44-28-17-30(42-22(2)31(28)45-36)43-24-7-13-33(20-37)26-8-12-32(3)25(23-16-29(38)41-19-23)10-15-35(32,40)27(26)9-14-34(33,39)18-24/h16,20-22,24-28,30-31,39-40H,4-15,17-19H2,1-3H3/t21?,22?,24-,25-,26?,27?,28?,30+,31-,32-,33+,34+,35+,36?/m1/s1
• InChIKey: URBSLDFGSZQQCW-OTYDPQKCSA-N

Properties

• Density: 1.299g/cm³ (Cal.)
• Boiling point: 764.563°C at 760 mmHg (Cal.)
• Flash point: 237.227°C (Cal.)