Verrucarin J

• Catalog Number: ACM4643587-1
• Product Name: Verrucarin J
• CAS: 4643-58-7
• Category: Inhibitors
• Description: Verrucarin J (Muconomycin B) is a metabolite of the Myrothecium fungus family.
• Synonyms: Muconomycin B
• IUPAC Name: (1R,3R,8R,12E,18E,20Z,24R,25S,26S)-5,13,25-Trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,17,22-trione
• Molecular Weight: 484.5
• Molecular Formula: C27H32O8
• Canonical SMILES: CC1=C[C@@H]2[C@]3(COC(/C=C(C)/CCOC(/C=C/C=C\C(OC4[C@]3(C)[C@@]5([C@H](O2)C4)CO5)=O)=O)=O)CC1
• InChI: InChI=1S/C27H32O8/c1-17-8-10-26-15-32-24(30)13-18(2)9-11-31-22(28)6-4-5-7-23(29)35-19-14-21(34-20(26)12-17)27(16-33-27)25(19,26)3/h4-7,12-13,19-21H,8-11,14-16H2,1-3H3/b6-4+,7-5-,18-13+/t19-,20-,21-,25-,26-,27+/m1/s1
• InChI Key: GXCGYHWSYNQVHU-GYDJLPFWSA-N
• Appearance: Solid
• Storage: Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
• Complexity: 1050
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 6
• Exact Mass: 484.20971797
• Heavy Atom Count: 35
• Isomeric SMILES: CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C(/CCOC(=O)/C=C/C=C\C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)\C
• Monoisotopic Mass: 484.20971797
• Physical State: Powder
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: Myrothecium fungus family, Stachybotrys chartarum
• Storage Conditions: Powder: -20°C for 3 years; In solvent: -80°C for 2 years
• Topological Polar Surface Area: 101 Ų