(3alpha,5beta,8xi,9xi,11alpha)-3-[(2,6-Dideoxy-3-O-methyl-beta-D-glycero-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide
[CAS# 98633-61-5]

Identification

• Name: (3alpha,5beta,8xi,9xi,11alpha)-3-[(2,6-Dideoxy-3-O-methyl-beta-D-glycero-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide
• Synonyms: 5-β-CARD-20(22)-ENOLIDE, 3-β-((2,6-DIDEOXY-3-O-METHYL-D-XYLO-HEXOPYRANOSYL; 5-β-Card-20(22)-enolide, 3-β-((2,6-dideoxy-3-O-methyl-D-xylo-hexopyranosyl)oxy)-11-α,14-dihydroxy-; Sarmentocymarin
• Molecular Formula: C₃₀H₄₆O₈
• Molecular Weight: 534.68
• CAS Registry Number: 98633-61-5
• 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
• InChI: 1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-26(28)22(31)14-29(3)20(8-10-30(21,29)34)17-11-24(32)36-15-17/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16?,18-,19-,20-,21?,22-,23?,25+,26?,27-,28+,29-,30+/m1/s1
• InChIKey: LEORFFVSVUWAEY-MSPGOKROSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 696.148°C at 760 mmHg (Cal.)
• Flash point: 223.397°C (Cal.)