2a-(b-D-Glucopyranosyloxy)-12-Methoxypicras-12-Ene-1,11,16-Trione
[CAS# 83543-82-2]

Identification

• Name: 2a-(b-D-Glucopyranosyloxy)-12-Methoxypicras-12-Ene-1,11,16-Trione
• Synonyms: Nsc369144
• Molecular Formula: C₂₇H₃₈O₁₁
• Molecular Weight: 538.59
• CAS Registry Number: 83543-82-2
• SMILES: [C@H]23[C@H](C)C[C@H](OC1C(O)C(C(O)C(CO)O1)O)C(=O)[C@@]2([C@H]4C(C(=C([C@@H]5CC(=O)O[C@H](C3)[C@]45C)C)OC)=O)C
• InChI: 1S/C27H38O11/c1-10-6-14(36-25-20(32)19(31)18(30)15(9-28)37-25)24(34)27(4)12(10)7-16-26(3)13(8-17(29)38-16)11(2)22(35-5)21(33)23(26)27/h10,12-16,18-20,23,25,28,30-32H,6-9H2,1-5H3/t10-,12+,13+,14+,15?,16-,18?,19?,20?,23+,25?,26-,27+/m1/s1
• InChIKey: WURBSTOWFYGBJO-JTVQRTMTSA-N

Properties

• Density: 1.414g/cm³ (Cal.)
• Boiling point: 769.356°C at 760 mmHg (Cal.)
• Flash point: 254.335°C (Cal.)