1-C-(7-{[4-O-Acetyl-2,6-dideoxy-3-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[2,6-dideoxy-4-O-isobutyryl-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# 86917-62-6]

Identification

• Name: 1-C-(7-{[4-O-Acetyl-2,6-dideoxy-3-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[2,6-dideoxy-4-O-isobutyryl-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 A2
• Molecular Formula: C₅₈H₈₄O₂₆
• Molecular Weight: 1197.27
• CAS Registry Number: 86917-62-6
• 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(C)C
• InChI: 1S/C58H84O26/c1-21(2)57(70)84-56-28(9)77-42(20-58(56,11)71)81-36-17-39(74-25(6)49(36)66)80-35-18-41(75-26(7)48(35)65)83-55-32(54(72-12)52(69)46(63)23(4)59)14-30-13-31-15-34(22(3)45(62)43(31)50(67)44(30)51(55)68)79-40-19-37(53(27(8)76-40)78-29(10)60)82-38-16-33(61)47(64)24(5)73-38/h13,15,21,23-28,32-33,35-42,46-49,53-56,59,61-67,71H,14,16-20H2,1-12H3
• InChIKey: AKTAFHXHDVVUJW-UHFFFAOYSA-N

Properties

• Density: 1.434g/cm³ (Cal.)
• Boiling point: 1168.26°C at 760 mmHg (Cal.)
• Flash point: 315.673°C (Cal.)