Tangshenoside I
[CAS# 117278-74-7]

Identification

• Name: Tangshenoside I
• Synonyms: 5-[(E)-3-[3,5-Dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Phenyl]Prop-2-Enoxy]-3-Methyl-5-Oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Pentanoic Acid; 5-[(E)-3-[3,5-Dimethoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]Prop-2-Enoxy]-3-Methyl-5-Oxo-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Pentanoic Acid; 5-[(E)-3-[3,5-Dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Phenyl]Prop-2-Enoxy]-5-Keto-3-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Valeric Acid
• Molecular Formula: C₂₉H₄₂O₁₈
• Molecular Weight: 678.64
• CAS Registry Number: 117278-74-7
• SMILES: [C@@H]3(OC1=C(OC)C=C(C=C1OC)\C=C\COC(=O)CC(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)(CC(=O)O)C)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
• InChI: 1S/C29H42O18/c1-29(9-18(32)33,47-28-25(40)23(38)21(36)17(12-31)45-28)10-19(34)43-6-4-5-13-7-14(41-2)26(15(8-13)42-3)46-27-24(39)22(37)20(35)16(11-30)44-27/h4-5,7-8,16-17,20-25,27-28,30-31,35-40H,6,9-12H2,1-3H3,(H,32,33)/b5-4+/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28+,29?/m1/s1
• InChIKey: ABKPQICIFGNRAA-YCRPTBBLSA-N

Properties

• Density: 1.556g/cm³ (Cal.)
• Boiling point: 993.403°C at 760 mmHg (Cal.)
• Flash point: 316.375°C (Cal.)