(1beta,2alpha,6alpha,11beta,12alpha)-11,20-Epoxy-1,2,11,12-tetrahydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-Picrasa-3,13(21)-dien-16-one
[CAS# 103839-22-1]

Identification

• Name: (1beta,2alpha,6alpha,11beta,12alpha)-11,20-Epoxy-1,2,11,12-tetrahydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-Picrasa-3,13(21)-dien-16-one
• Synonyms: 13,18-Dsoc; Picrasa-3,13(21)-Dien-16-One, 11,20-Epoxy-1,2,11,12-Trihydroxy-6-((3-Methyl-1-Oxo-2-Butenyl)Oxy)-, (1Beta,2Alpha,6Alpha,11Beta,12Alpha)-
• Molecular Formula: C₂₅H₃₂O₉
• Molecular Weight: 476.52
• CAS Registry Number: 103839-22-1
• SMILES: [C@]124[C@H]3[C@@]5([C@@H]([C@@H](OC(=O)C=C(C)C)[C@H]1OC(=O)C[C@H]2C([C@@H](O)[C@@]3(OC4)O)=C)C(=C[C@H](O)[C@H]5O)C)C
• InChI: 1S/C25H32O9/c1-10(2)6-15(27)33-18-17-11(3)7-14(26)20(30)23(17,5)22-24-9-32-25(22,31)19(29)12(4)13(24)8-16(28)34-21(18)24/h6-7,13-14,17-22,26,29-31H,4,8-9H2,1-3,5H3/t13-,14-,17+,18+,19+,20+,21+,22+,23+,24+,25-/m0/s1
• InChIKey: UDYDQIYSNNAQSU-YSSSMICESA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 671.673°C at 760 mmHg (Cal.)
• Flash point: 226.84°C (Cal.)