(6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-15-Butan-2-Yl-19,24,25,27,29-Pentahydroxy-17,21-Dioxo-16,31-Dioxabicyclo[25.3.1]Hentriaconta-4,6,8,10,12-Pentaene-30-Carboxylic Acid
[CAS# 128808-62-8]

Identification

• Name: (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-15-Butan-2-Yl-19,24,25,27,29-Pentahydroxy-17,21-Dioxo-16,31-Dioxabicyclo[25.3.1]Hentriaconta-4,6,8,10,12-Pentaene-30-Carboxylic Acid
• Synonyms: (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-19,24,25,27,29-Pentahydroxy-17,21-Dioxo-15-Sec-Butyl-16,31-Dioxabicyclo[25.3.1]Hentriaconta-4,6,8,10,12-Pentaene-30-Carboxylic Acid; (6Z,10Z)-3-[[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-19,24,25,27,29-Pentahydroxy-17,21-Dioxo-15-Sec-Butyl-16,31-Dioxabicyclo[25.3.1]Hentriaconta-4,6,8,10,12-Pentaene-30-Carboxylic Acid; (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-19,24,25,27,29-Pentahydroxy-17,21-Diketo-15-Sec-Butyl-16,31-Dioxabicyclo[25.3.1]Hentriaconta-4,6,8,10,12-Pentaene-30-Carboxylic Acid
• Molecular Formula: C₄₀H₆₁NO₁₅
• Molecular Weight: 795.92
• CAS Registry Number: 128808-62-8
• SMILES: [C@@H]3(OC\2CC1OC(O)(CC(O)C1C(=O)O)CC(O)C(O)CCC(=O)CC(O)CC(OC(C(CC)C)C\C=C/C=C\C=C/C=C\C=C2)=O)O[C@@H]([C@@H](O)[C@H](N)[C@@H]3O)C
• InChI: 1S/C40H61NO15/c1-4-23(2)31-15-13-11-9-7-5-6-8-10-12-14-27(54-39-37(49)35(41)36(48)24(3)53-39)20-32-34(38(50)51)30(46)22-40(52,56-32)21-29(45)28(44)17-16-25(42)18-26(43)19-33(47)55-31/h5-14,23-24,26-32,34-37,39,43-46,48-49,52H,4,15-22,41H2,1-3H3,(H,50,51)/b6-5-,9-7-,10-8-,13-11-,14-12-/t23?,24-,26?,27?,28?,29?,30?,31?,32?,34?,35+,36-,37+,39+,40?/m1/s1
• InChIKey: ISJFQHRNXXQEGT-KEUCJMSPSA-N