(4E,6E,8E,10Z)-3-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-20,21,23,25,27-Pentahydroxy-17-Oxo-15-Propan-2-Yl-16,29-Dioxabicyclo[23.3.1]Nonacosa-4,6,8,10-Tetraene-28-Carboxylic Acid
[CAS# 130767-46-3]

Identification

• Name: (4E,6E,8E,10Z)-3-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-20,21,23,25,27-Pentahydroxy-17-Oxo-15-Propan-2-Yl-16,29-Dioxabicyclo[23.3.1]Nonacosa-4,6,8,10-Tetraene-28-Carboxylic Acid
• Synonyms: (4E,6E,8E,10Z)-3-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-20,21,23,25,27-Pentahydroxy-15-Isopropyl-17-Oxo-16,29-Dioxabicyclo[23.3.1]Nonacosa-4,6,8,10-Tetraene-28-Carboxylic Acid; (4E,6E,8E,10Z)-3-[[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-20,21,23,25,27-Pentahydroxy-15-Isopropyl-17-Oxo-16,29-Dioxabicyclo[23.3.1]Nonacosa-4,6,8,10-Tetraene-28-Carboxylic Acid; (4E,6E,8E,10Z)-3-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-20,21,23,25,27-Pentahydroxy-15-Isopropyl-17-Keto-16,29-Dioxabicyclo[23.3.1]Nonacosa-4,6,8,10-Tetraene-28-Carboxylic Acid
• Molecular Formula: C₃₇H₅₉NO₁₄
• Molecular Weight: 741.87
• CAS Registry Number: 130767-46-3
• SMILES: [C@@H]3(OC\2CC1OC(O)(CC(O)C1C(=O)O)CC(O)CC(O)C(O)CCC(OC(C(C)C)CCC\C=C/C=C/C=C/C=C2)=O)O[C@@H]([C@@H](O)[C@H](N)[C@@H]3O)C
• InChI: 1S/C37H59NO14/c1-21(2)28-14-12-10-8-6-4-5-7-9-11-13-24(50-36-34(45)32(38)33(44)22(3)49-36)18-29-31(35(46)47)27(42)20-37(48,52-29)19-23(39)17-26(41)25(40)15-16-30(43)51-28/h4-9,11,13,21-29,31-34,36,39-42,44-45,48H,10,12,14-20,38H2,1-3H3,(H,46,47)/b5-4+,8-6-,9-7+,13-11+/t22-,23?,24?,25?,26?,27?,28?,29?,31?,32+,33-,34+,36+,37?/m1/s1
• InChIKey: HCAJMOSNTHQEGE-HEVHWGFOSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 991.043°C at 760 mmHg (Cal.)
• Flash point: 553.163°C (Cal.)