(6E,10Z)-3-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-15-Butan-2-Yl-19,25,27,29-Tetrahydroxy-17,21-Dioxo-16,31-Dioxabicyclo[25.3.1]Hentriaconta-4,6,8,10,12-Pentaene-30-Carboxylic Acid
[CAS# 128808-63-9]

Identification

• Name: (6E,10Z)-3-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-15-Butan-2-Yl-19,25,27,29-Tetrahydroxy-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-Methyloxan-2-Yl]Oxy-15-Butan-2-Yl-19,25,27,29-Tetrahydroxy-17,21-Dioxo-16,31-Dioxabicyclo[25.3.1]Hentriaconta-4,6,8,10,12-Pentaene-30-Carboxylic Acid; (6E,10Z)-3-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-19,25,27,29-Tetrahydroxy-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-19,25,27,29-Tetrahydroxy-17,21-Dioxo-15-Sec-Butyl-16,31-Dioxabicyclo[25.3.1]Hentriaconta-4,6,8,10,12-Pentaene-30-Carboxylic Acid
• Molecular Formula: C₄₀H₆₁NO₁₄
• Molecular Weight: 779.92
• CAS Registry Number: 128808-63-9
• SMILES: [C@@H]3(OC\2CC1OC(O)(CC(O)C1C(=O)O)CC(O)CCCC(=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/C40H61NO14/c1-4-24(2)31-18-13-11-9-7-5-6-8-10-12-17-29(53-39-37(48)35(41)36(47)25(3)52-39)21-32-34(38(49)50)30(45)23-40(51,55-32)22-27(43)16-14-15-26(42)19-28(44)20-33(46)54-31/h5-13,17,24-25,27-32,34-37,39,43-45,47-48,51H,4,14-16,18-23,41H2,1-3H3,(H,49,50)/b6-5-,9-7-,10-8-,13-11-,17-12-/t24?,25-,27?,28?,29?,30?,31?,32?,34?,35+,36-,37+,39+,40?/m1/s1
• InChIKey: QHYNZYOPJOICJB-KKWKNEDVSA-N