(2S,3S,4aR,12bR)-2,3,4a,8,12b-Pentahydroxy-3-methyl-3,4,4a,5,6,12b-hexahydro-1,7,12(2H)-tetraphenetrione
[CAS# 86413-77-6]

Identification

• Name: (2S,3S,4aR,12bR)-2,3,4a,8,12b-Pentahydroxy-3-methyl-3,4,4a,5,6,12b-hexahydro-1,7,12(2H)-tetraphenetrione
• Synonyms: Benz(a)anthracene-1,7,12(2H)-trione, 3,4,4a,5,6,12b-hexahydro-2,3,4a,8,12b-pentahydroxy-3-methyl-, (2S-(2α,3β,4aα,12bα))-; Sakyomicin D
• Molecular Formula: C₁₉H₁₈O₈
• Molecular Weight: 374.34
• CAS Registry Number: 86413-77-6
• SMILES: O=C3[C@@H](O)[C@](O)(C)C[C@]4(O)CCC=2C(=O)c1c(O)cccc1C(=O)C=2[C@]34O
• InChI: 1S/C19H18O8/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/h2-4,15,20,23,25-27H,5-7H2,1H3/t15-,17+,18-,19+/m1/s1
• InChIKey: UQVQAGIDTKKVTM-LULLPPNCSA-N

Properties

• Density: 1.715g/cm³ (Cal.)
• Boiling point: 678.632°C at 760 mmHg (Cal.)
• Flash point: 378.199°C (Cal.)