(3beta,5beta,8xi,9xi)-3-[(2,6-Dideoxy-3-O-Methyl-alpha-D-Glycero-Hexopyranosyl)Oxy]-14-Hydroxycard-20(22)-Enolide
[CAS# 31087-87-3]

Identification

• Name: (3beta,5beta,8xi,9xi)-3-[(2,6-Dideoxy-3-O-Methyl-alpha-D-Glycero-Hexopyranosyl)Oxy]-14-Hydroxycard-20(22)-Enolide
• Synonyms: Beaumontoside; CARD-20(22)-ENOLIDE, 3-((2,6-DIDEOXY-3-O-METHYL-α-L-ARABINO-HEXOPYRANOSYL)OX; Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy)-14-hydroxy-, (3-β,5-β)-
• Molecular Formula: C₃₀H₄₆O₇
• Molecular Weight: 518.68
• CAS Registry Number: 31087-87-3
• SMILES: O=C\1OC/C(=C/1)[C@H]2CC[C@@]6(O)[C@]2(C)CCC4C6CC[C@@H]5C[C@@H](O[C@H]3OC([C@@H](O)C(OC)C3)C)CC[C@]45C
• InChI: 1S/C30H46O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h13,17,19-24,26-27,32-33H,5-12,14-16H2,1-4H3/t17?,19-,20+,21-,22?,23?,24?,26-,27-,28+,29-,30+/m1/s1
• InChIKey: YBZZSZQZDODUAA-USKAWHENSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 662.49°C at 760 mmHg (Cal.)
• Flash point: 211.798°C (Cal.)