1-C-(7-{[4-O-Acetyl-2,6-dideoxy-3-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[4-O-acetyl-2,6-dideoxy-3-C-methylhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl]oxy} -5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl)-5-deoxy-1-O-methylpent-2-ulose
[CAS# 86917-64-8]

Identification

• Name: 1-C-(7-{[4-O-Acetyl-2,6-dideoxy-3-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[4-O-acetyl-2,6-dideoxy-3-C-methylhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl]oxy} -5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl)-5-deoxy-1-O-methylpent-2-ulose
• Synonyms: Demethylchromomycin A3
• Molecular Formula: C₅₆H₈₀O₂₆
• Molecular Weight: 1169.22
• CAS Registry Number: 86917-64-8
• SMILES: O=C(OC1C(O)(C)CC(OC1C)OC2CC(OC(C)C2O)OC3CC(OC(C)C3O)OC8C(=O)c7c(cc6cc(OC5OC(C(OC(=O)C)C(OC4OC(C)C(O)C(O)C4)C5)C)c(c(O)c6c7O)C)CC8C(OC)C(=O)C(O)C(O)C)C
• InChI: 1S/C56H80O26/c1-20-33(78-39-18-36(52(25(6)74-39)76-27(8)58)81-37-15-32(60)46(63)22(3)71-37)14-30-12-29-13-31(53(70-11)51(68)45(62)21(2)57)54(50(67)43(29)49(66)42(30)44(20)61)82-40-17-34(47(64)24(5)73-40)79-38-16-35(48(65)23(4)72-38)80-41-19-56(10,69)55(26(7)75-41)77-28(9)59/h12,14,21-26,31-32,34-41,45-48,52-55,57,60-66,69H,13,15-19H2,1-11H3
• InChIKey: LKAAYCHLHTYRFV-UHFFFAOYSA-N

Properties

• Density: 1.457g/cm³ (Cal.)
• Boiling point: 1162.672°C at 760 mmHg (Cal.)
• Flash point: 317.52°C (Cal.)