3-O-Methyltirotundin

• CAS: 1021945-29-8
• Catalog Number: ACM1021945298
• Category: Other Products
• Molecular Weight: 366.45
• Molecular Formula: C20H30O6
• Synonyms: Propanoic acid, 2-methyl-, (3aS,4R,6S,9S,10S,11aR)-dodecahydro-9-methoxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester
• IUPAC Name: [(1S,2S,4R,8S,9R,11R)-1-methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
• Canonical SMILES: C[C@H]1C[C@@H]2[C@@H]([C@@H](C[C@]3(CC[C@@]1(O3)OC)C)OC(=O)C(C)C)C(=C)C(=O)O2
• InChI: InChI=1S/C20H30O6/c1-11(2)17(21)25-15-10-19(5)7-8-20(23-6,26-19)12(3)9-14-16(15)13(4)18(22)24-14/h11-12,14-16H,4,7-10H2,1-3,5-6H3/t12-,14+,15+,16-,19+,20-/m0/s1
• InChI Key: SOLCYTMIFQPNDN-IZEBJNRDSA-N
• Boiling Point: 474.5±45.0 °C
• Flash Point: 205.6±28.8 °C
• Density: 1.15±0.1 g/ml
• Appearance: Solid
• Physical Description: Oil
• Refractive Index: 1.51