Aquayamycin
[CAS# 26055-63-0]

Identification

• Name: Aquayamycin
• Synonyms: (3R,4Ar,12Bs)-9-[(2R,4R,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]-3,4A,8,12B-Tetrahydroxy-3-Methyl-2,4-Dihydrobenzo[A]Anthracene-1,7,12-Trione; (3R,4Ar,12Bs)-9-[(2R,4R,5S,6R)-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]-3,4A,8,12B-Tetrahydroxy-3-Methyl-2,4-Dihydrobenzo[A]Anthracene-1,7,12-Trione; (3R,4Ar,12Bs)-9-[(2R,4R,5S,6R)-4,5-Dihydroxy-6-Methyl-Oxan-2-Yl]-3,4A,8,12B-Tetrahydroxy-3-Methyl-2,4-Dihydrobenzo[A]Anthracene-1,7,12-Trione
• Molecular Formula: C₂₅H₂₆O₁₀
• Molecular Weight: 486.47
• CAS Registry Number: 26055-63-0
• SMILES: [C@@]12(O)[C@@](O)(C[C@@](O)(CC1=O)C)C=CC4=C2C(=O)C3=CC=C(C(=C3C4=O)O)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)C5)C
• InChI: 1S/C25H26O10/c1-10-19(28)14(26)7-15(35-10)11-3-4-12-17(20(11)29)21(30)13-5-6-24(33)9-23(2,32)8-16(27)25(24,34)18(13)22(12)31/h3-6,10,14-15,19,26,28-29,32-34H,7-9H2,1-2H3/t10-,14-,15-,19-,23+,24+,25+/m1/s1
• InChIKey: KCOULPRVOZDQEL-IFNZWHIZSA-N

Properties

• Density: 1.654g/cm³ (Cal.)
• Boiling point: 782.231°C at 760 mmHg (Cal.)
• Flash point: 268.865°C (Cal.)