(11alpha,12beta)-11,13,16-trihydroxy-2,12-dimethoxy-Picras-2-en-1-one
[CAS# 30248-05-6]

Identification

• Name: (11alpha,12beta)-11,13,16-trihydroxy-2,12-dimethoxy-Picras-2-en-1-one
• Synonyms: Phenanthro[10,1-Bc]Pyran-11(1H)-One, 2,3,3A.Beta.,4,5,6A.Beta.,7,7A.Alpha.,8,11A,11B.Alpha.,11C-Dodecahydro-1.Alpha.,3.Beta.,5-Trihydroxy-2.Beta.,10-Dimethoxy-3,8.Alpha.,11A.Beta.,11C.Beta.-Tetramethyl-; Picras-2-En-1-One, 11,13,16-Trihydroxy-2,12-Dimethoxy-, (11.Alpha.,12.Beta.)-
• Molecular Formula: C₂₂H₃₄O₇
• Molecular Weight: 410.51
• CAS Registry Number: 30248-05-6
• SMILES: CC23C4C1(C(CC(OC1CC2C(C)C=C(C3=O)OC)O)C(C(C4O)OC)(O)C)C
• InChI: 1S/C22H34O7/c1-10-7-12(27-5)18(25)20(2)11(10)8-14-21(3)13(9-15(23)29-14)22(4,26)19(28-6)16(24)17(20)21/h7,10-11,13-17,19,23-24,26H,8-9H2,1-6H3
• InChIKey: POGHHDUAPIJTLG-UHFFFAOYSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 574.535°C at 760 mmHg (Cal.)
• Flash point: 195.283°C (Cal.)