(3beta(2S,3S,4S,6S),5alpha,12beta)-12,14,19-Trihydroxy-2,3-((Tetrahydro-3,4-Dihydroxy-6-(Hydroxymethyl)-2H-Pyran-3,2-Diyl)Bis(Oxy))-Card-20(22)-Enolide
[CAS# 119459-76-6]

Identification

• Name: (3beta(2S,3S,4S,6S),5alpha,12beta)-12,14,19-Trihydroxy-2,3-((Tetrahydro-3,4-Dihydroxy-6-(Hydroxymethyl)-2H-Pyran-3,2-Diyl)Bis(Oxy))-Card-20(22)-Enolide
• Synonyms: Ghalakinoside
• Molecular Formula: C₂₉H₄₂O₁₁
• Molecular Weight: 566.64
• CAS Registry Number: 119459-76-6
• SMILES: [C@@H]14[C@H](C2(O)[C@]([C@H](O)C1)([C@H](CC2)C3=CC(OC3)=O)C)CC[C@@H]7[C@@]4(CC6O[C@@H]5O[C@@H](C[C@H](O)[C@@]5(O[C@H]6C7)O)CO)CO
• InChI: 1S/C29H42O11/c1-26-17(14-6-24(34)37-12-14)4-5-28(26,35)18-3-2-15-7-20-21(10-27(15,13-31)19(18)9-22(26)32)39-25-29(36,40-20)23(33)8-16(11-30)38-25/h6,15-23,25,30-33,35-36H,2-5,7-13H2,1H3/t15-,16-,17+,18+,19-,20-,21?,22+,23-,25-,26-,27+,28?,29-/m0/s1
• InChIKey: PKXHXJCYJPHQNB-WKCCLVTPSA-N

Properties

• Density: 1.464g/cm³ (Cal.)
• Boiling point: 822.018°C at 760 mmHg (Cal.)
• Flash point: 270.261°C (Cal.)