30-Hydroxy-5-(Tetrahydro-5-Methoxy-6-Methyl-2H-Pyran-2-Yl)-Semduramicin
[CAS# 98824-17-0]

Identification

• Name: 30-Hydroxy-5-(Tetrahydro-5-Methoxy-6-Methyl-2H-Pyran-2-Yl)-Semduramicin
• Synonyms: 2-[2-Hydroxy-6-[1-[9-Hydroxy-2-[5-[5-[6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-Tetrahydropyran-2-Yl]-3-(5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydrofuran-2-Yl]-5-Methyl-Tetrahydrofuran-2-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]Ethyl]-5-Methoxy-4-(5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-3-Methyl-Tetrahydropyran-2-Yl]Acetic Acid; 2-[2-Hydroxy-6-[1-[9-Hydroxy-2-[5-[5-[6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-2-Tetrahydropyranyl]-3-[(5-Methoxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-2-Tetrahydrofuranyl]-5-Methyl-2-Tetrahydrofuranyl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]Ethyl]-5-Methoxy-4-[(5-Methoxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-3-Methyl-2-Tetrahydropyranyl]Acetic Acid; 2-[2-Hydroxy-6-[1-[9-Hydroxy-2-[5-[5-(6-Hydroxy-3,5-Dimethyl-6-Methylol-Tetrahydropyran-2-Yl)-3-(5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydrofuran-2-Yl]-5-Methyl-Tetrahydrofuran-2-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]Ethyl]-5-Methoxy-4-(5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-3-Methyl-Tetrahydropyran-2-Yl]Acetic Acid
• Molecular Formula: C₅₂H₈₈O₁₉
• Molecular Weight: 1017.26
• CAS Registry Number: 98824-17-0
• SMILES: C(C8(OC(C(C6OC5(OC(C4OC(C1OC(CC1OC2OC(C(OC)CC2)C)C3OC(O)(C(CC3C)C)CO)(CC4)C)(CC5)C)CC(O)C6C)C)C(OC)C(OC7OC(C(OC)CC7)C)C8C)O)C(=O)O
• InChI: 1S/C52H88O19/c1-26-21-27(2)52(58,25-53)69-42(26)36-22-37(64-40-15-13-34(59-10)31(6)62-40)47(65-36)49(9)18-17-38(67-49)48(8)19-20-50(71-48)23-33(54)28(3)43(68-50)29(4)44-46(61-12)45(30(5)51(57,70-44)24-39(55)56)66-41-16-14-35(60-11)32(7)63-41/h26-38,40-47,53-54,57-58H,13-25H2,1-12H3,(H,55,56)
• InChIKey: KNFNZSMXPGQAER-UHFFFAOYSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 994.261°C at 760 mmHg (Cal.)
• Flash point: 272.473°C (Cal.)