(3R)-9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-6-Methyloxan-2-Yl]Oxy-5-Hydroxy-6-Methyloxan-2-Yl]-3,8-Dihydroxy-3-Methyl-2,4-Dihydrobenzo[b]Phenanthrene-1,7,12-Trione
[CAS# 104542-46-3]

Identification

• Name: (3R)-9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-6-Methyloxan-2-Yl]Oxy-5-Hydroxy-6-Methyloxan-2-Yl]-3,8-Dihydroxy-3-Methyl-2,4-Dihydrobenzo[b]Phenanthrene-1,7,12-Trione
• Synonyms: (3R)-9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]-3,8-Dihydroxy-3-Methyl-2,4-Dihydrobenzo[B]Phenanthrene-1,7,12-Trione; (3R)-9-[(2R,4R,5R,6R)-4-[[(2S,5S,6S)-5-[[(2S,4R,5S,6R)-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]-3,8-Dihydroxy-3-Methyl-2,4-Dihydrobenzo[B]Phenanthrene-1,7,12-Trione; (3R)-9-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-Dihydroxy-6-Methyl-Oxan-2-Yl]Oxy-6-Methyl-Oxan-2-Yl]Oxy-5-Hydroxy-6-Methyl-Oxan-2-Yl]-3,8-Dihydroxy-3-Methyl-2,4-Dihydrobenzo[B]Phenanthrene-1,7,12-Trione
• Molecular Formula: C₃₇H₄₄O₁₃
• Molecular Weight: 696.75
• CAS Registry Number: 104542-46-3
• SMILES: [C@]7(O)(CC6=C(C1=C(C(=O)C2=C(C1=O)C=CC(=C2O)[C@@H]5O[C@@H]([C@@H](O)[C@H](O[C@@H]4O[C@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)C3)C)CC4)C)C5)C)C=C6)C(=O)C7)C
• InChI: 1S/C37H44O13/c1-15-24(49-28-11-22(38)32(40)16(2)48-28)9-10-27(47-15)50-26-12-25(46-17(3)33(26)41)19-7-8-21-31(34(19)42)36(44)20-6-5-18-13-37(4,45)14-23(39)29(18)30(20)35(21)43/h5-8,15-17,22,24-28,32-33,38,40-42,45H,9-14H2,1-4H3/t15-,16+,17+,22+,24-,25+,26+,27-,28-,32+,33+,37+/m0/s1
• InChIKey: RVYIFZVNJLDNAV-VSYBRGMMSA-N

Properties

• Density: 1.477g/cm³ (Cal.)
• Boiling point: 899.411°C at 760 mmHg (Cal.)
• Flash point: 280.592°C (Cal.)