(3S)-8-Hydroxyimino-3abeta,4,5,5a,8,9balpha-Hexahydro-3beta,5aalpha,9-Trimethylnaphtho[1,2-b]Furan-2(3H)-One
[CAS# 1618-82-2]

Identification

• Name: (3S)-8-Hydroxyimino-3abeta,4,5,5a,8,9balpha-Hexahydro-3beta,5aalpha,9-Trimethylnaphtho[1,2-b]Furan-2(3H)-One
• Synonyms: (3S,3As,5As,8E,9Bs)-8-Hydroxyimino-3,5A,9-Trimethyl-3A,4,5,9B-Tetrahydro-3H-Benzo[G]Benzofuran-2-One; (3S,3As,5As,8E,9Bs)-8-Hydroximino-3,5A,9-Trimethyl-3A,4,5,9B-Tetrahydro-3H-Benzo[G]Benzofuran-2-One; Santonine Oxime
• Molecular Formula: C₁₅H₁₉NO₃
• Molecular Weight: 261.32
• CAS Registry Number: 1618-82-2
• SMILES: [C@@H]13[C@H](OC(=O)[C@H]1C)C2=C(/C(=N/O)C=C[C@@]2(CC3)C)C
• InChI: 1S/C15H19NO3/c1-8-10-4-6-15(3)7-5-11(16-18)9(2)12(15)13(10)19-14(8)17/h5,7-8,10,13,18H,4,6H2,1-3H3/b16-11+/t8-,10-,13-,15-/m0/s1
• InChIKey: DZFUMKYXWIWTMJ-ZYLULROZSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 463.494°C at 760 mmHg (Cal.)
• Flash point: 234.113°C (Cal.)