Isocolumbin

• Catalog Number: ACM471545
• Product Name: Isocolumbin
• CAS: 471-54-5
• Category: Heterocyclic Organic Compound
• IUPAC Name: (1S,2S,3S,5S,8S,11R,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
• Molecular Weight: 358.39
• Molecular Formula: C20H22O6
• Canonical SMILES: CC12CCC3C(=O)OC(CC3(C1C4C=CC2(C(=O)O4)O)C)C5=COC=C5
• InChI: InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13+,14+,15+,18-,19-,20-/m1/s1
• InChI Key: AALLCALQGXXWNA-UKFLMKJWSA-N
• Appearance: Powder