alpha-Peltatin
[CAS# 568-53-6]

Identification

• Name: alpha-Peltatin
• Synonyms: (5Ar,8Ar,9R)-4-Hydroxy-9-(4-Hydroxy-3,5-Dimethoxyphenyl)-5A,6,8A,9-Tetrahydro-5H-Isobenzofurano[5,6-F][1,3]Benzodioxol-8-One; Aids-030807; Aids030807
• Molecular Formula: C₂₁H₂₀O₈
• Molecular Weight: 400.38
• CAS Registry Number: 568-53-6
• SMILES: [C@H]3(C1=C(C(=C2C(=C1)OCO2)O)C[C@H]4COC([C@H]34)=O)C5=CC(=C(C(=C5)OC)O)OC
• InChI: 1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17-/m0/s1
• InChIKey: JGGWNGRBXJWAOC-HKJPBSJPSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 614.3±55.0°C at 760 mmHg (Cal.)
• Flash point: 219.7±25.0°C (Cal.)