3-O-(Galactopyranosyl-(1,2)-galactopyranosyl)-23-hydroxy-4-methylcholesta-8,14-diene
[CAS# 119760-82-6]

Identification

• Name: 3-O-(Galactopyranosyl-(1,2)-galactopyranosyl)-23-hydroxy-4-methylcholesta-8,14-diene
• Synonyms: (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6S)-4,5-Dihydroxy-2-[[(10S,13R,17R)-17-[(1R)-3-Hydroxy-1,5-Dimethyl-Hexyl]-4,10,13-Trimethyl-2,3,4,5,6,7,11,12,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-4,5-Dihydroxy-2-[[(10S,13R,17R)-17-[(1R)-3-Hydroxy-1,5-Dimethylhexyl]-4,10,13-Trimethyl-2,3,4,5,6,7,11,12,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6S)-4,5-Dihydroxy-2-[[(10S,13R,17R)-17-[(1R)-3-Hydroxy-1,5-Dimethyl-Hexyl]-4,10,13-Trimethyl-2,3,4,5,6,7,11,12,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-6-Methylol-Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₄₀H₆₆O₁₂
• Molecular Weight: 738.95
• CAS Registry Number: 119760-82-6
• SMILES: [C@]36(C2=C(C1=CC[C@@H]([C@]1(CC2)C)[C@@H](CC(O)CC(C)C)C)CCC3C(C(O[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)CO)CC6)C)C
• InChI: 1S/C40H66O12/c1-19(2)15-22(43)16-20(3)24-9-10-26-23-7-8-25-21(4)28(12-14-40(25,6)27(23)11-13-39(24,26)5)49-38-36(34(47)32(45)30(18-42)51-38)52-37-35(48)33(46)31(44)29(17-41)50-37/h10,19-22,24-25,28-38,41-48H,7-9,11-18H2,1-6H3/t20-,21?,22?,24-,25?,28?,29-,30+,31+,32-,33+,34+,35-,36-,37+,38-,39-,40+/m1/s1
• InChIKey: IVYRDMWWABSYSI-ZMHUHEENSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 876.515°C at 760 mmHg (Cal.)
• Flash point: 483.899°C (Cal.)