14-Hydroxy-3beta,2alpha-[[(2S,6R)-Tetrahydro-3,5-Dihydroxy-6-Methyl-4-Oxo-2H-Pyran-2,3-Diyl]Bis(Oxy)]-5alpha-Card-20(22)-Enolide
[CAS# 66419-08-7]

Identification

• Name: 14-Hydroxy-3beta,2alpha-[[(2S,6R)-Tetrahydro-3,5-Dihydroxy-6-Methyl-4-Oxo-2H-Pyran-2,3-Diyl]Bis(Oxy)]-5alpha-Card-20(22)-Enolide
• Synonyms: Labriformidin
• Molecular Formula: C₂₉H₃₆O₁₁
• Molecular Weight: 560.60
• CAS Registry Number: 66419-08-7
• SMILES: [C@]123O[C@H]1C[C@@H]7[C@@]([C@H]2[C@H](O)C(=O)[C@]4([C@]3(O)CC[C@@H]4C5=CC(OC5)=O)C)(C[C@H]6O[C@]8(O)[C@H](O[C@@H]6C7)O[C@@H](CC8=O)C)C
• InChI: 1S/C29H36O11/c1-12-6-18(30)29(35)24(37-12)38-16-8-14-9-19-28(40-19)22(25(14,2)10-17(16)39-29)21(32)23(33)26(3)15(4-5-27(26,28)34)13-7-20(31)36-11-13/h7,12,14-17,19,21-22,24,32,34-35H,4-6,8-11H2,1-3H3/t12-,14-,15-,16-,17-,19+,21+,22-,24+,25+,26+,27-,28+,29+/m1/s1
• InChIKey: WSTYKMSHUMUSAY-HBXZBPGDSA-N

Properties

• Density: 1.533g/cm³ (Cal.)
• Boiling point: 813.819°C at 760 mmHg (Cal.)
• Flash point: 270.987°C (Cal.)