(7E,13E,15E,17E,19E)-21-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,3,5,6,25-Pentahydroxy-11,12-Dimethyl-9-Oxo-10,27-Dioxabicyclo[21.3.1]Heptacosa-7,13,15,17,19-Pentaene-24-Carboxylic Acid
[CAS# 34280-27-8]

Identification

• Name: (7E,13E,15E,17E,19E)-21-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,3,5,6,25-Pentahydroxy-11,12-Dimethyl-9-Oxo-10,27-Dioxabicyclo[21.3.1]Heptacosa-7,13,15,17,19-Pentaene-24-Carboxylic Acid
• Synonyms: tetrin B
• Molecular Formula: C₃₄H₅₁NO₁₄
• Molecular Weight: 697.77
• CAS Registry Number: 34280-27-8
• SMILES: OC(=O)C3C(O)CC2(O)CC(O)CC(O)C(O)/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/C34H51NO14/c1-18-10-8-6-4-5-7-9-11-22(48-33-31(42)29(35)30(41)20(3)47-33)15-26-28(32(43)44)25(39)17-34(45,49-26)16-21(36)14-24(38)23(37)12-13-27(40)46-19(18)2/h4-13,18-26,28-31,33,36-39,41-42,45H,14-17,35H2,1-3H3,(H,43,44)/b6-4+,7-5+,10-8+,11-9+,13-12+/t18?,19?,20-,21?,22?,23?,24?,25?,26?,28?,29+,30-,31+,33+,34?/m1/s1
• InChIKey: QYCUGLCRIRALNM-MAZYJNMTSA-N

Properties

• Density: 1.392g/cm³ (Cal.)
• Boiling point: 987.9°C at 760 mmHg (Cal.)
• Flash point: 551.262°C (Cal.)