(1aR,4E,7S,7aR,10bR)-1A,5-Dimethyl-8-Methylene-9-Oxo-1A,2,3,6,7,7A,8,9,10A,10B-Decahydrooxireno[9,10]Cyclodeca[1,2-b]Furan-7-Yl (2E)-4-Hydroxy-2-(Hydroxymethyl)-2-Butenoate
[CAS# 30994-28-6]

Identification

• Name: (1aR,4E,7S,7aR,10bR)-1A,5-Dimethyl-8-Methylene-9-Oxo-1A,2,3,6,7,7A,8,9,10A,10B-Decahydrooxireno[9,10]Cyclodeca[1,2-b]Furan-7-Yl (2E)-4-Hydroxy-2-(Hydroxymethyl)-2-Butenoate
• Synonyms: stizolicin; NSC301458
• Molecular Formula: C₂₀H₂₆O₇
• Molecular Weight: 378.42
• CAS Registry Number: 30994-28-6
• SMILES: O=C(O[C@H]1C/C(=C/CC[C@]3(O[C@@H]3C2OC(=O)\C(=C)[C@H]12)C)C)/C(=C/CO)CO
• InChI: 1S/C20H26O7/c1-11-5-4-7-20(3)17(27-20)16-15(12(2)18(23)26-16)14(9-11)25-19(24)13(10-22)6-8-21/h5-6,14-17,21-22H,2,4,7-10H2,1,3H3/b11-5+,13-6+/t14-,15+,16?,17+,20+/m0/s1
• InChIKey: SUXRDYUTTDFKDJ-XOBWDMKXSA-N

Properties

• Density: 1.295g/cm³ (Cal.)
• Boiling point: 598.039°C at 760 mmHg (Cal.)
• Flash point: 211.041°C (Cal.)