Tremulacin
[CAS# 29836-40-6]

Identification

• Name: Tremulacin
• Synonyms: [(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-[2-[(1-Hydroxy-6-Oxo-Cyclohex-2-Ene-1-Carbonyl)Oxymethyl]Phenoxy]Tetrahydropyran-3-Yl] Benzoate; Benzoic Acid [(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-[2-[[(1-Hydroxy-6-Oxo-1-Cyclohex-2-Enyl)-Oxomethoxy]Methyl]Phenoxy]-3-Tetrahydropyranyl] Ester; Benzoic Acid [(2S,3R,4S,5S,6R)-4,5-Dihydroxy-2-[2-[(1-Hydroxy-6-Keto-Cyclohex-2-Ene-1-Carbonyl)Oxymethyl]Phenoxy]-6-Methylol-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₂₇H₂₈O₁₁
• Molecular Weight: 528.51
• CAS Registry Number: 29836-40-6
• SMILES: [C@H]2(OC(=O)C1=CC=CC=C1)[C@@H](O[C@@H]([C@@H](O)[C@@H]2O)CO)OC3=CC=CC=C3COC(=O)C4(O)C(=O)CCC=C4
• InChI: 1S/C27H28O11/c28-14-19-21(30)22(31)23(38-24(32)16-8-2-1-3-9-16)25(37-19)36-18-11-5-4-10-17(18)15-35-26(33)27(34)13-7-6-12-20(27)29/h1-5,7-11,13,19,21-23,25,28,30-31,34H,6,12,14-15H2/t19-,21-,22+,23-,25-,27?/m1/s1
• InChIKey: RCKCYCDBDYUIGM-LFMHJWGUSA-N

Properties

• Density: 1.481g/cm³ (Cal.)
• Boiling point: 737.798°C at 760 mmHg (Cal.)
• Flash point: 245.713°C (Cal.)