(3beta,5beta,8xi,9xi,11alpha)-3-[(6-Deoxy-alpha-D-Glycero-Hexopyranosyl)Oxy]-5,11,14-Trihydroxy-19-Oxocard-20(22)-Enolide
[CAS# 6875-30-5]

Identification

• Name: (3beta,5beta,8xi,9xi,11alpha)-3-[(6-Deoxy-alpha-D-Glycero-Hexopyranosyl)Oxy]-5,11,14-Trihydroxy-19-Oxocard-20(22)-Enolide
• Synonyms: 19-Oxo-3-β-((L-rhamnopyranosyl)oxy)-5,11-α,14-trihydroxy-5-β-card-20(22)-enolide; 5-β-CARD-20(22)-ENOLIDE, 3-β-((L-RHAMNOPYRANOSYL)OXY)-5,11-α,14-TRIHYD
• Molecular Formula: C₂₉H₄₂O₁₁
• Molecular Weight: 566.64
• CAS Registry Number: 6875-30-5
• SMILES: O=C\1OC/C(=C/1)[C@H]2CC[C@@]6(O)[C@]2(C)C[C@@H](O)C4C6CC[C@]5(O)C[C@@H](O[C@H]3OC([C@@H](O)C(O)C3O)C)CC[C@]45C=O
• InChI: 1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3/t14?,16-,17+,18?,19+,21?,22+,23?,24?,25+,26+,27-,28-,29-/m0/s1
• InChIKey: AZOXLPPOBHVORY-MEYXTMGPSA-N

Properties

• Density: 1.466g/cm³ (Cal.)
• Boiling point: 793.653°C at 760 mmHg (Cal.)
• Flash point: 259.043°C (Cal.)