Elsamitrucin
[CAS# 97068-30-9]

Identification

• Name: Elsamitrucin
• Synonyms: E-87/025; Bu-2478A; 10-O-Elsaminosylelsarosylchartarin
• Molecular Formula: C₃₃H₃₅NO₁₃
• Molecular Weight: 653.64
• CAS Registry Number: 97068-30-9
• SMILES: [C@H]7(OC1=CC=CC3=C1C5=C2C4=C(OC(C2=C3O)=O)C=CC(=C4C(=O)O5)C)[C@H](O[C@@H]6[C@@H]([C@H]([C@@H](O)[C@H](O6)C)OC)N)[C@@]([C@@H](O)[C@H](O7)C)(C)O
• InChI: 1S/C33H35NO13/c1-11-9-10-16-19-17(11)29(38)46-25-18-14(24(36)21(20(19)25)30(39)44-16)7-6-8-15(18)45-32-28(33(4,40)27(37)13(3)43-32)47-31-22(34)26(41-5)23(35)12(2)42-31/h6-10,12-13,22-23,26-28,31-32,35-37,40H,34H2,1-5H3/t12-,13-,22-,23+,26-,27+,28+,31-,32+,33+/m1/s1
• InChIKey: MGQRRMONVLMKJL-KWJIQSIXSA-N

Properties

• Density: 1.577g/cm³ (Cal.)
• Boiling point: 913.246°C at 760 mmHg (Cal.)
• Flash point: 506.113°C (Cal.)