3,5,8-Trihydroxy-2-(4-Hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One
[CAS# 35815-07-7]

Identification

• Name: 3,5,8-Trihydroxy-2-(4-Hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One
• Synonyms: 3,5,8-Trihydroxy-2-(4-Hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromen-4-One; 3,5,8-Trihydroxy-2-(4-Hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Chromenone; 3,5,8-Trihydroxy-2-(4-Hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Chromone
• Molecular Formula: C₂₁H₂₀O₁₂
• Molecular Weight: 464.38
• CAS Registry Number: 35815-07-7
• SMILES: [C@H]4(OC3=C(C2=C(C(C(=C(C1=CC=C(C=C1)O)O2)O)=O)C(=C3)O)O)[C@@H]([C@@H](O)[C@@H]([C@H](O4)CO)O)O
• InChI: 1S/C21H20O12/c22-6-11-13(25)16(28)18(30)21(32-11)31-10-5-9(24)12-15(27)17(29)19(33-20(12)14(10)26)7-1-3-8(23)4-2-7/h1-5,11,13,16,18,21-26,28-30H,6H2/t11-,13-,16+,18-,21-/m1/s1
• InChIKey: RSPZVQZNRINVPE-ZGNDCXKCSA-N

Properties

• Density: 1.81g/cm³ (Cal.)
• Boiling point: 861.044°C at 760 mmHg (Cal.)
• Flash point: 303.489°C (Cal.)

References

• (1): Shikai YanThese authors contributed equally to the manuscript., Bin Wu, Zhongying Lin, Huizi Jin, Jianhua Huang, Yun Yang, Xinmin Zhang, Ziyin Shen and Weidong Zhang. Metabonomic characterization of aging and investigation on the anti-aging effects of total flavones of Epimedium, Mol. Biosyst., 2009, 5, 1204.