(1aR,9aS)-9alpha-[(S)-1,2-Dihydroxy-1-Methylethyl]-1abeta,1balpha,3a,3balpha,4,4abeta,5abeta,5b-Octahydro-4beta-Hydroxy-3aalpha,5bbeta-Dimethyl-3H,7H-Oxireno[i]Oxireno[5,6]Isobenzofuro[7,1-fg][2]Benzopyran-3,7-Dione
[CAS# 26804-82-0]

Identification

• Name: (1aR,9aS)-9alpha-[(S)-1,2-Dihydroxy-1-Methylethyl]-1abeta,1balpha,3a,3balpha,4,4abeta,5abeta,5b-Octahydro-4beta-Hydroxy-3aalpha,5bbeta-Dimethyl-3H,7H-Oxireno[i]Oxireno[5,6]Isobenzofuro[7,1-fg][2]Benzopyran-3,7-Dione
• Synonyms: Podolactone B
• Molecular Formula: C₁₉H₂₂O₉
• Molecular Weight: 394.38
• CAS Registry Number: 26804-82-0
• SMILES: [C@]25([C@H]1[C@H](OC(=O)[C@]1([C@@H](O)[C@@H]3O[C@H]23)C)[C@H]4O[C@@]46C5=CC(O[C@@H]6[C@](O)(CO)C)=O)C
• InChI: 1S/C19H22O9/c1-16(24,5-20)14-19-6(4-7(21)25-14)17(2)10-8(13(19)28-19)27-15(23)18(10,3)11(22)9-12(17)26-9/h4,8-14,20,22,24H,5H2,1-3H3/t8-,9-,10+,11-,12-,13+,14+,16+,17+,18+,19-/m0/s1
• InChIKey: LCHSSOYHOCFOEO-AXEBLSJMSA-N

Properties

• Density: 1.658g/cm³ (Cal.)
• Boiling point: 755.663°C at 760 mmHg (Cal.)
• Flash point: 276.399°C (Cal.)