(2R,3S,4aR,12bS)-2,3,4a,8,12b-Pentahydroxy-3-methyl-3,4,4a,12b-tetrahydro-1,7,12(2H)-tetraphenetrione
[CAS# 86470-27-1]

Identification

• Name: (2R,3S,4aR,12bS)-2,3,4a,8,12b-Pentahydroxy-3-methyl-3,4,4a,12b-tetrahydro-1,7,12(2H)-tetraphenetrione
• Synonyms: Benz(a)anthracene-1,7,12(2H)-trione, 3,4,4a,12b-tetrahydro-2,3,4a,8,12b-pentahydroxy-3-methyl-, (2S-(2-α,3-β,4a-α,12b-α))-; Sakyomicin B
• Molecular Formula: C₁₉H₁₆O₈
• Molecular Weight: 372.33
• CAS Registry Number: 86470-27-1
• SMILES: O=C3\C2=C(\C=C/[C@@]1(O)[C@]2(O)C(=O)[C@H](O)[C@](O)(C)C1)C(=O)c4c3cccc4O
• InChI: 1S/C19H16O8/c1-17(25)7-18(26)6-5-9-12(19(18,27)16(24)15(17)23)14(22)8-3-2-4-10(20)11(8)13(9)21/h2-6,15,20,23,25-27H,7H2,1H3/t15-,17-,18-,19+/m0/s1
• InChIKey: TVRZORMBTKRMAO-DSLXNQLJSA-N

Properties

• Density: 1.76g/cm³ (Cal.)
• Boiling point: 717.371°C at 760 mmHg (Cal.)
• Flash point: 401.601°C (Cal.)