2alpha,14-Dihydroxy-12-methoxypicras-12-ene-1,11,16-trione
[CAS# 35598-69-7]

Identification

• Name: 2alpha,14-Dihydroxy-12-methoxypicras-12-ene-1,11,16-trione
• Molecular Formula: C₂₁H₂₈O₇
• Molecular Weight: 392.45
• CAS Registry Number: 35598-69-7
• SMILES: [C@@]12([C@H]3[C@@]4([C@@H](C[C@H]1OC(=O)C[C@@]2(O)C(=C(OC)C3=O)C)[C@@H](C[C@H](O)C4=O)C)C)C
• InChI: 1S/C21H28O7/c1-9-6-12(22)18(25)19(3)11(9)7-13-20(4)17(19)15(24)16(27-5)10(2)21(20,26)8-14(23)28-13/h9,11-13,17,22,26H,6-8H2,1-5H3/t9-,11+,12+,13-,17-,19+,20-,21-/m1/s1
• InChIKey: WUGDTWXOAUNOCM-NJECMDHZSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Boiling point: 619.837°C at 760 mmHg (Cal.)
• Flash point: 217.929°C (Cal.)