(1aS)-1aa,2a,4ab,4bb,6,8,9b,9Ca-Octahydro-2b-Hydroxy-2ab,9ba-Dimethyl-6b-[1-(Methoxycarbonyl)Ethyl]-2H,3H-Furo[2',3',4':4,5]Oxireno[7,8]Naphtho[2,1-c]Pyran-3,8-Dione
[CAS# 41653-86-5]

Identification

• Name: (1aS)-1aa,2a,4ab,4bb,6,8,9b,9Ca-Octahydro-2b-Hydroxy-2ab,9ba-Dimethyl-6b-[1-(Methoxycarbonyl)Ethyl]-2H,3H-Furo[2',3',4':4,5]Oxireno[7,8]Naphtho[2,1-c]Pyran-3,8-Dione
• Synonyms: Nubilactone A
• Molecular Formula: C₂₀H₂₂O₈
• Molecular Weight: 390.39
• CAS Registry Number: 41653-86-5
• SMILES: CC34C2C(C1=CC(=O)OC(C1=CC2OC3=O)C(C(=O)OC)C)(C)C5C(C4O)O5
• InChI: 1S/C20H22O8/c1-7(17(23)25-4)12-8-5-10-14-19(2,9(8)6-11(21)27-12)16-13(28-16)15(22)20(14,3)18(24)26-10/h5-7,10,12-16,22H,1-4H3
• InChIKey: WJTAQUCBJLHAPR-UHFFFAOYSA-N

Properties

• Density: 1.46g/cm³ (Cal.)
• Boiling point: 663.856°C at 760 mmHg (Cal.)
• Flash point: 239.991°C (Cal.)