Mederrhodin B
[CAS# 97343-12-9]

Identification

• Name: Mederrhodin B
• Synonyms: 2-[(1R)-8-[(5S,6R)-4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]-5,10-Dihydroxy-1-Methyl-6,9-Dioxo-3,4-Dihydro-1H-Benzo[G]Isochromen-3-Yl]Acetic Acid; 2-[(1R)-8-[(5S,6R)-4-Dimethylamino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]-5,10-Dihydroxy-1-Me
• Molecular Formula: C₂₄H₂₉NO₉
• Molecular Weight: 475.49
• CAS Registry Number: 97343-12-9
• SMILES: [C@@H]1(OC(CC2=C1C(=C3C(=C2O)C(=O)C=C(C3=O)C4O[C@@H]([C@@H](O)C(N(C)C)C4)C)O)CC(=O)O)C
• InChI: 1S/C24H29NO9/c1-9-18-13(5-11(33-9)6-17(27)28)23(31)19-15(26)7-12(22(30)20(19)24(18)32)16-8-14(25(3)4)21(29)10(2)34-16/h7,9-11,14,16,21,29,31-32H,5-6,8H2,1-4H3,(H,27,28)/t9-,10-,11?,14?,16?,21-/m1/s1
• InChIKey: XDXPXEFNHDYYIW-AXLBOTTBSA-N

Properties

• Density: 1.484g/cm³ (Cal.)
• Boiling point: 742.742°C at 760 mmHg (Cal.)
• Flash point: 402.996°C (Cal.)