(2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-(7'-Methyl-3-Oxospiro[2-Benzofuran-1,9'-Xanthene]-3'-Yl)Oxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
[CAS# 128683-43-2]

Identification

• Name: (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-(7'-Methyl-3-Oxospiro[2-Benzofuran-1,9'-Xanthene]-3'-Yl)Oxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
• Synonyms: (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-(7'-Methyl-3-Oxo-Spiro[Isobenzofuran-1,9'-Xanthene]-3'-Yl)Oxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-[(7'-Methyl-3-Oxo-3'-Spiro[Isobenzofuran-1,9'-Xanthene]Yl)Oxy]-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-4-Hydroxy-2-(3-Keto-7'-Methyl-Spiro[Isobenzofuran-1,9'-Xanthene]-3'-Yl)Oxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₃₂H₃₁NO₁₂
• Molecular Weight: 621.60
• CAS Registry Number: 128683-43-2
• SMILES: [C@@]1(O[C@H]([C@@H]([C@H](C1)O)NC(C)=O)[C@@H]([C@@H](CO)O)O)(C(O)=O)OC6=CC4=C(C2(OC(C3=C2C=CC=C3)=O)C5=C(O4)C=CC(=C5)C)C=C6
• InChI: 1S/C32H31NO12/c1-15-7-10-24-21(11-15)32(19-6-4-3-5-18(19)29(39)45-32)20-9-8-17(12-25(20)42-24)43-31(30(40)41)13-22(36)26(33-16(2)35)28(44-31)27(38)23(37)14-34/h3-12,22-23,26-28,34,36-38H,13-14H2,1-2H3,(H,33,35)(H,40,41)/t22-,23+,26+,27+,28+,31+,32?/m0/s1
• InChIKey: OICAWTHTZIDKHH-YHYXIJJBSA-N

Properties

• Density: 1.594g/cm³ (Cal.)
• Boiling point: 1029.073°C at 760 mmHg (Cal.)
• Flash point: 576.163°C (Cal.)