6-O-(3-Ethoxypropionyl)-3',4'-O-Exo-Benzylidenechartreusin
[CAS# 128201-92-3]

Identification

• Name: 6-O-(3-Ethoxypropionyl)-3',4'-O-Exo-Benzylidenechartreusin
• Synonyms: Ist-622; Propanoic Acid, 3-Ethoxy-, 10-((6-Deoxy-2-O-(6-Deoxy-3-O-Methyl-Alpha-D-Galactopyranosyl)-3,4-O-(Phenylmethylene)-Beta-D-Galactopyranosyl)Oxy)-5,12-Dihydro-1-Methyl-5,12-Dioxobenzo(H)(1)Benzopyrano(5,4,3-Cde)(1)Benzopyran-6-Yl Ester, (S)-; (S)-10-((6-Deoxy-2-O-(6-Deoxy-3-O-Methyl-Alpha-D-Galactopyranosyl)-3,4-O-(Phenylmethylene)-Beta-D-Galactopyranosyl)Oxy)-5,12-Dihydro-1-Methyl-5,12-Dioxobenzo(H)(1)Benzopyrano(5,4,3-Cde)(1)Benzopyran-6-Yl 3-Ethoxypropanoate
• Molecular Formula: C₄₄H₄₄O₁₆
• Molecular Weight: 828.82
• CAS Registry Number: 128201-92-3
• SMILES: C9=C(C1OC2C(O1)C(OC(C2OC3OC(C(C(C3O)OC)O)C)OC4=CC=C5C(=C4)C8=C6C(=C5OC(CCOCC)=O)C(OC7=C6C(=C(C=C7)C)C(O8)=O)=O)C)C=CC=C9
• InChI: 1S/C44H44O16/c1-6-51-17-16-27(45)56-35-24-14-13-23(18-25(24)36-30-29-26(55-41(49)31(30)35)15-12-19(2)28(29)40(48)57-36)54-44-39(60-43-33(47)37(50-5)32(46)20(3)52-43)38-34(21(4)53-44)58-42(59-38)22-10-8-7-9-11-22/h7-15,18,20-21,32-34,37-39,42-44,46-47H,6,16-17H2,1-5H3
• InChIKey: QRWUHWVLCGLLOK-UHFFFAOYSA-N

Properties

• Density: 1.489g/cm³ (Cal.)