Arbusculin A
[CAS# 27652-22-8]

Identification

• Name: Arbusculin A
• Synonyms: (3As,5Ar,9R,9As,9Bs)-9-Hydroxy-5A,9-Dimethyl-3-Methylene-3A,4,5,6,7,8,9A,9B-Octahydrobenzo[G]Benzofuran-2-One; Naphtho(1,2-B)Furan-2(3H)-One, Decahydro-9-Hydroxy-5A,9-Dimethyl-3-Methylene-, (3As-(3Aalpha,5Abeta,9Alpha,9Aalpha,9Bbeta))-; Arbusculin A
• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.34
• CAS Registry Number: 27652-22-8
• SMILES: [C@H]12OC(=O)C([C@@H]1CC[C@@]3([C@@H]2[C@](O)(CCC3)C)C)=C
• InChI: 1S/C15H22O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12+,14+,15+/m0/s1
• InChIKey: BVRDNJZFYKHRJQ-CWFCOSEVSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 402.677°C at 760 mmHg (Cal.)
• Flash point: 168.765°C (Cal.)