Verrucarin J
[CAS# 4643-58-7]

Identification

• Name: Verrucarin J
• Synonyms: Ai3-29711; Muconomycin B; Verrucarin A, 2',3'-Didehydro-2'-Deoxy-, (2'E)-
• Molecular Formula: C₂₇H₃₂O₈
• Molecular Weight: 484.55
• CAS Registry Number: 4643-58-7
• SMILES: [C@@]24([C@@]1(OC1)[C@@H]5O[C@H]3[C@@]2(CCC(=C3)C)COC(=O)\C=C(CCOC(=O)/C=C\C=C/C(O[C@@H]4C5)=O)\C)C
• 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
• InChIKey: GXCGYHWSYNQVHU-ACFLEPKXSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 735.353°C at 760 mmHg (Cal.)
• Flash point: 312.2°C (Cal.)