(11alpha,12beta)-11,13,14-Trihydroxy-2,12-Dimethoxy-Picras-2-Ene-1,16-Dione
[CAS# 30248-06-7]

Identification

• Name: (11alpha,12beta)-11,13,14-Trihydroxy-2,12-Dimethoxy-Picras-2-Ene-1,16-Dione
• Synonyms: Nigakilactone H; Nsc306398; Phenanthro[10,1-Bc]Pyran-5,11(1H,4H)-Dione, 2,3,3A,6A.Beta.,7,7A.Alpha.,8,11A,11B.Alpha.,11C-Decahydro-1.Alpha.,3.Beta.,3A.Beta.-Trihydroxy-2.Beta.,10-Dimethoxy-3,8.Alpha.,11A.Beta.,11C.Beta.-Tetramethyl-
• Molecular Formula: C₂₂H₃₂O₈
• Molecular Weight: 424.49
• CAS Registry Number: 30248-06-7
• SMILES: CC13C4(C(O)(C)C(C(C1C2(C(C(=CC(C2CC3OC(=O)C4)C)OC)=O)C)O)OC)O
• InChI: 1S/C22H32O8/c1-10-7-12(28-5)17(25)19(2)11(10)8-13-20(3)16(19)15(24)18(29-6)21(4,26)22(20,27)9-14(23)30-13/h7,10-11,13,15-16,18,24,26-27H,8-9H2,1-6H3
• InChIKey: WTMHOKZZJFYIGE-UHFFFAOYSA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Boiling point: 601.537°C at 760 mmHg (Cal.)
• Flash point: 205.644°C (Cal.)