5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxychromen-4-One
[CAS# 107740-46-5]

Identification

• Name: 5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxychromen-4-One
• Synonyms: 5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxy-Phenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Chromen-4-One; 5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-3-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxymethyl]-2-Tetrahydropyranyl]Oxy]-4-Chromenone; 5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxy-Phenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Chromone
• Molecular Formula: C₂₈H₃₂O₁₆
• Molecular Weight: 624.55
• CAS Registry Number: 107740-46-5
• SMILES: [C@H]4(OC2=C(OC1=CC(=CC(=C1C2=O)O)O)C3=CC(=C(C=C3)O)OC)[C@@H]([C@@H](O)[C@H]([C@H](O4)CO[C@H]5[C@@H]([C@H](O)[C@H]([C@@H](O5)C)O)O)O)O
• InChI: 1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21+,22-,23+,24+,27+,28-/m0/s1
• InChIKey: UIDGLYUNOUKLBM-ZLADREHTSA-N

Properties

• Density: 1.74g/cm³ (Cal.)
• Boiling point: 953.116°C at 760 mmHg (Cal.)
• Flash point: 312.94°C (Cal.)