(3beta,5beta,8xi,9xi,11alpha)-3-[(2,6-Dideoxy-3-O-Methyl-alpha-D-Glycero-Hexopyranosyl)Oxy]-11,14-Dihydroxy-19-Oxocard-20(22)-Enolide
[CAS# 507-87-9]

Identification

• Name: (3beta,5beta,8xi,9xi,11alpha)-3-[(2,6-Dideoxy-3-O-Methyl-alpha-D-Glycero-Hexopyranosyl)Oxy]-11,14-Dihydroxy-19-Oxocard-20(22)-Enolide
• Synonyms: 5-β-CARD-20(22)-ENOLIDE, 3-β-((2,6-DIDEOXY-3-O-METHYL-ARABINO-L-HEXOPYRANO; 5-β-Card-20(22)-enolide, 3-β-((2,6-dideoxy-3-O-methyl-arabino-L-hexopyranosyl)oxy)-11-α,14-dihydroxy-19-oxo-
• Molecular Formula: C₃₀H₄₄O₉
• Molecular Weight: 548.66
• CAS Registry Number: 507-87-9
• SMILES: O=C\1OC/C(=C/1)[C@H]2CC[C@@]6(O)[C@]2(C)C[C@@H](O)C4C6CC[C@@H]5C[C@@H](O[C@H]3OC([C@@H](O)C(OC)C3)C)CC[C@]45C=O
• InChI: 1S/C30H44O9/c1-16-27(34)23(36-3)12-25(38-16)39-19-6-8-29(15-31)18(11-19)4-5-21-26(29)22(32)13-28(2)20(7-9-30(21,28)35)17-10-24(33)37-14-17/h10,15-16,18-23,25-27,32,34-35H,4-9,11-14H2,1-3H3/t16?,18-,19+,20-,21?,22-,23?,25-,26?,27-,28-,29-,30+/m1/s1
• InChIKey: VCBRFHLMVHXWFV-RJNXOFJDSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 727.503°C at 760 mmHg (Cal.)
• Flash point: 234.717°C (Cal.)