3-Hydroxy-3-Methyl-5-Oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2S)-5-Hydroxy-2-(4-Methoxyphenyl)-6,8-Dimethyl-4-Oxochroman-7-Yl]Oxyoxan-2-Yl]Methoxy]Pentanoic Acid
[CAS# 161161-68-8]

Identification

• Name: 3-Hydroxy-3-Methyl-5-Oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2S)-5-Hydroxy-2-(4-Methoxyphenyl)-6,8-Dimethyl-4-Oxochroman-7-Yl]Oxyoxan-2-Yl]Methoxy]Pentanoic Acid
• Synonyms: 3-Hydroxy-3-Methyl-5-Oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2S)-5-Hydroxy-2-(4-Methoxyphenyl)-6,8-Dimethyl-4-Oxo-Chroman-7-Yl]Oxy-Tetrahydropyran-2-Yl]Methoxy]Pentanoic Acid; 3-Hydroxy-3-Methyl-5-Oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(2S)-5-Hydroxy-2-(4-Methoxyphenyl)-6,8-Dimethyl-4-Oxo-7-Chromanyl]Oxy]-2-Tetrahydropyranyl]Methoxy]Pentanoic Acid; 3-Hydroxy-5-Keto-3-Methyl-5-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2S)-5-Hydroxy-4-Keto-2-(4-Methoxyphenyl)-6,8-Dimethyl-Chroman-7-Yl]Oxy-Tetrahydropyran-2-Yl]Methoxy]Valeric Acid
• Molecular Formula: C₃₀H₃₆O₁₄
• Molecular Weight: 620.61
• CAS Registry Number: 161161-68-8
• SMILES: [C@H]4(OC1=C(C3=C(C(=C1C)O)C(C[C@@H](C2=CC=C(OC)C=C2)O3)=O)C)[C@@H]([C@@H](O)[C@@H]([C@H](O4)COC(CC(CC(=O)O)(O)C)=O)O)O
• InChI: 1S/C30H36O14/c1-13-23(35)22-17(31)9-18(15-5-7-16(40-4)8-6-15)42-28(22)14(2)27(13)44-29-26(38)25(37)24(36)19(43-29)12-41-21(34)11-30(3,39)10-20(32)33/h5-8,18-19,24-26,29,35-39H,9-12H2,1-4H3,(H,32,33)/t18-,19+,24+,25-,26+,29-,30?/m0/s1
• InChIKey: SMLRKPPCBXFZQW-SKAYDIONSA-N

Properties

• Density: 1.453g/cm³ (Cal.)
• Boiling point: 916.401°C at 760 mmHg (Cal.)
• Flash point: 296.57°C (Cal.)