2-[(1S,4R,4aS,8R,8aR)-8,8A-Dihydroxy-4,7-Dimethyl-1,2,3,4,4A,5,8,8A-Octahydro-1-Naphthalenyl]Acrylic Acid
[CAS# 145941-07-7]

Identification

• Name: 2-[(1S,4R,4aS,8R,8aR)-8,8A-Dihydroxy-4,7-Dimethyl-1,2,3,4,4A,5,8,8A-Octahydro-1-Naphthalenyl]Acrylic Acid
• Synonyms: 1-Naphthaleneacetic acid, 1,2,3,4,4a,5,8,8a-octahydro-8,8a-dihydroxy-4,7-dimethyl-α-methylene-, (1S-(1α,4β,4aβ,8β,8aβ))-; Artemisinin B
• Molecular Formula: C₁₅H₂₂O₄
• Molecular Weight: 266.33
• CAS Registry Number: 145941-07-7
• SMILES: O=C(O)\C(=C)[C@@H]1CC[C@H]([C@@H]2C/C=C(\[C@@H](O)[C@]12O)C)C
• InChI: 1S/C15H22O4/c1-8-4-7-12(10(3)14(17)18)15(19)11(8)6-5-9(2)13(15)16/h5,8,11-13,16,19H,3-4,6-7H2,1-2H3,(H,17,18)/t8-,11+,12+,13-,15-/m1/s1
• InChIKey: PVBSTLWHHZPUSK-JDRMZHCHSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 415.175°C at 760 mmHg (Cal.)
• Flash point: 219.042°C (Cal.)
• Refractive index: 1.565 (Cal.)