(7E,13E,15E,17E,19E)-21-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,3,5,25-Tetrahydroxy-11,12-Dimethyl-9-Oxo-10,27-Dioxabicyclo[21.3.1]Heptacosa-7,13,15,17,19-Pentaene-24-Carboxylic Acid
[CAS# 34280-28-9]

Identification

• Name: (7E,13E,15E,17E,19E)-21-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,3,5,25-Tetrahydroxy-11,12-Dimethyl-9-Oxo-10,27-Dioxabicyclo[21.3.1]Heptacosa-7,13,15,17,19-Pentaene-24-Carboxylic Acid
• Synonyms: tetrin A
• Molecular Formula: C₃₄H₅₁NO₁₃
• Molecular Weight: 681.77
• CAS Registry Number: 34280-28-9
• SMILES: OC(=O)C3C(O)CC2(O)CC(O)CC(O)C/C=C/C(=O)OC(C)C(C)\C=C\C=C\C=C\C=C\C(O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O)CC3O2
• InChI: 1S/C34H51NO13/c1-19-11-8-6-4-5-7-9-13-24(47-33-31(41)29(35)30(40)21(3)46-33)16-26-28(32(42)43)25(38)18-34(44,48-26)17-23(37)15-22(36)12-10-14-27(39)45-20(19)2/h4-11,13-14,19-26,28-31,33,36-38,40-41,44H,12,15-18,35H2,1-3H3,(H,42,43)/b6-4+,7-5+,11-8+,13-9+,14-10+/t19?,20?,21-,22?,23?,24?,25?,26?,28?,29+,30-,31+,33+,34?/m1/s1
• InChIKey: VHMCOPURFQAZFP-BCRUFRJLSA-N

Properties

• Density: 1.354g/cm³ (Cal.)
• Boiling point: 956.573°C at 760 mmHg (Cal.)
• Flash point: 532.316°C (Cal.)