(2alpha(2S,3S,4R,6R),3beta,5alpha)-14-Hydroxy-2,3-((Tetrahydro-3,4-Dihydroxy-6-Methyl-2H-Pyran-3,2-Diyl)Bis(Oxy))-Card-20(22)-Enolide
[CAS# 36597-51-0]

Identification

• Name: (2alpha(2S,3S,4R,6R),3beta,5alpha)-14-Hydroxy-2,3-((Tetrahydro-3,4-Dihydroxy-6-Methyl-2H-Pyran-3,2-Diyl)Bis(Oxy))-Card-20(22)-Enolide
• Synonyms: Gomphoside
• Molecular Formula: C₂₉H₄₂O₈
• Molecular Weight: 518.65
• CAS Registry Number: 36597-51-0
• SMILES: [C@@H]47[C@@]2([C@H](C[C@@H]1O[C@]3(O)[C@H](O[C@H]1C2)O[C@@H](C[C@H]3O)C)CC[C@H]4C5(O)[C@@]([C@H](CC5)C6=CC(OC6)=O)(CC7)C)C
• InChI: 1S/C29H42O8/c1-15-10-23(30)29(33)25(35-15)36-22-13-26(2)17(12-21(22)37-29)4-5-20-19(26)6-8-27(3)18(7-9-28(20,27)32)16-11-24(31)34-14-16/h11,15,17-23,25,30,32-33H,4-10,12-14H2,1-3H3/t15-,17+,18-,19+,20-,21+,22+,23-,25+,26+,27-,28?,29+/m1/s1
• InChIKey: NARSCJXMGRWWIL-KDDCLYFASA-N

Properties

• Density: 1.32g/cm³ (Cal.)
• Boiling point: 699.76°C at 760 mmHg (Cal.)
• Flash point: 229.344°C (Cal.)