(2S,3R,4R,5R,6S,7R,8S,27S)-5,15-Didemethoxy-14-Demethyl-5-Hydroxy-27-Methoxy-8,20-Dimethylseptamycin Sodium Salt
[CAS# 59202-85-6]

Identification

• Name: (2S,3R,4R,5R,6S,7R,8S,27S)-5,15-Didemethoxy-14-Demethyl-5-Hydroxy-27-Methoxy-8,20-Dimethylseptamycin Sodium Salt
• Synonyms: Sodium 2-[2,4-Dihydroxy-6-[1-[2-[5-[5-(6-Hydroxy-4-Methoxy-3,5,6-Trimethyl-Tetrahydropyran-2-Yl)Tetrahydrofuran-2-Yl]-5-Methyl-Tetrahydrofuran-2-Yl]-9-Methoxy-2,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]Ethyl]-5-(5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-3,5-Dimethyl-Tetrahydropyran-2-Yl]Propanoate; Sodium 2-[2,4-Dihydroxy-6-[1-[2-[5-[5-(6-Hydroxy-4-Methoxy-3,5,6-Trimethyl-2-Tetrahydropyranyl)-2-Tetrahydrofuranyl]-5-Methyl-2-Tetrahydrofuranyl]-9-Methoxy-2,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]Ethyl]-5-[(5-Methoxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-3,5-Dimethyl-2-Tetrahydropyranyl]Propanoate; Sodium 2-[2,4-Dihydroxy-6-[1-[2-[5-[5-(6-Hydroxy-4-Methoxy-3,5,6-Trimethyl-Tetrahydropyran-2-Yl)Tetrahydrofuran-2-Yl]-5-Methyl-Tetrahydrofuran-2-Yl]-9-Methoxy-2,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]Ethyl]-5-(5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-3,5-Dimethyl-Tetrahydropyran-2-Yl]Propionate
• Molecular Formula: C₄₈H₈₁NaO₁₆
• Molecular Weight: 937.15
• CAS Registry Number: 59202-85-6
• SMILES: CC2(OC1OC(C(OC)CC1)C)C(OC(O)(C(C2O)C)C(C([O-])=O)C)C(C7OC6(OC(C5OC(C4OC(C3OC(O)(C(C(OC)C3C)C)C)CC4)(CC5)C)(CC6)C)C(C(OC)C7)C)C.[Na+]
• InChI: 1S/C48H82O16.Na/c1-24(41-45(10,61-37-18-16-31(54-12)30(7)57-37)40(49)28(5)48(53,63-41)29(6)42(50)51)33-23-34(55-13)26(3)47(59-33)22-21-44(9,64-47)36-19-20-43(8,60-36)35-17-15-32(58-35)39-25(2)38(56-14)27(4)46(11,52)62-39;/h24-41,49,52-53H,15-23H2,1-14H3,(H,50,51);/q;+1/p-1
• InChIKey: LEOBAWSNZQENLG-UHFFFAOYSA-M

Properties

• Boiling point: 902.3°C at 760 mmHg (Cal.)
• Flash point: 250.5°C (Cal.)