(5S-trans)-N-((5-((6-Deoxy-beta-D-Galactopyranosyl)Oxy)-5,6,8,13-Tetrahydro-1,6,9,14-Tetrahydro-3-Methyl-8,13-Dioxo-11-(beta-L-Xylopyranosyloxy)Benzo(a)Naphthacen-2-Yl)Carbonyl)-Glycine
[CAS# 149598-63-0]

Identification

• Name: (5S-trans)-N-((5-((6-Deoxy-beta-D-Galactopyranosyl)Oxy)-5,6,8,13-Tetrahydro-1,6,9,14-Tetrahydro-3-Methyl-8,13-Dioxo-11-(beta-L-Xylopyranosyloxy)Benzo(a)Naphthacen-2-Yl)Carbonyl)-Glycine
• Synonyms: Glycine, N-((5-((6-Deoxy-Beta-D-Galactopyranosyl)Oxy)-5,6,8,13-Tetrahydro-1,6,9,14-Tetrahydroxy-3-Methyl-8,13-Dioxo-11-(Beta-L-Xylopyranosyloxy)Benzo(A)Naphthacen-2-Yl)Carbonyl)-, (5S-Trans)-
• Molecular Formula: C₃₇H₃₇NO₁₉
• Molecular Weight: 799.69
• CAS Registry Number: 149598-63-0
• SMILES: [C@H]3(O)C1=CC5=C(C(=C1C2=C(O)C(=C(C=C2[C@@H]3O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)C)C)C(=O)NCC(=O)O)O)C(=O)C6=C(C5=O)C(=CC(=C6)O[C@H]7OC[C@H](O)[C@@H](O)[C@@H]7O)O
• InChI: 1S/C37H37NO19/c1-9-3-15-22(29(48)19(9)35(53)38-7-18(41)42)21-13(27(46)34(15)57-37-33(52)31(50)24(43)10(2)55-37)6-14-23(30(21)49)26(45)12-4-11(5-16(39)20(12)25(14)44)56-36-32(51)28(47)17(40)8-54-36/h3-6,10,17,24,27-28,31-34,36-37,39-40,43,46-52H,7-8H2,1-2H3,(H,38,53)(H,41,42)/t10-,17+,24+,27+,28-,31+,32+,33-,34+,36-,37+/m1/s1
• InChIKey: YNXJAOKAYJEVKX-PGENVNSISA-N

Properties

• Density: 1.856g/cm³ (Cal.)
• Boiling point: 1157.359°C at 760 mmHg (Cal.)
• Flash point: 653.747°C (Cal.)