(3R,4aR,12bS)-3,4a,8-Trihydroxy-12b-{[(2R,5R,6R)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-methyl-3,4,4a,12b-tetrahydro-1,7,12(2H)-tetraphenetrione
[CAS# 86413-76-5]

Identification

• Name: (3R,4aR,12bS)-3,4a,8-Trihydroxy-12b-{[(2R,5R,6R)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-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-3,4a,8-trihydroxy-3-methyl-12b-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-, (3R-(3α,4aβ,12bβ(2R*,5R*,6R*)))-; Sakyomicin C
• Molecular Formula: C₂₅H₂₆O₉
• Molecular Weight: 470.47
• CAS Registry Number: 86413-76-5
• SMILES: C[C@@H]1[C@@H](CC[C@H](O1)O[C@]23C(=O)C[C@](C[C@]2(C=CC4=C3C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C)O)O
• InChI: 1S/C25H26O9/c1-12-15(26)6-7-18(33-12)34-25-17(28)10-23(2,31)11-24(25,32)9-8-14-20(25)22(30)13-4-3-5-16(27)19(13)21(14)29/h3-5,8-9,12,15,18,26-27,31-32H,6-7,10-11H2,1-2H3/t12-,15-,18-,23+,24+,25+/m1/s1
• InChIKey: DSMQDARJKCLOPP-IHCLWORPSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 782.1±60.0°C at 760 mmHg (Cal.)
• Flash point: 270.0±26.4°C (Cal.)