Rupicolin A
[CAS# 41653-82-1]

Identification

• Name: Rupicolin A
• Synonyms: (3Ar,4S,6As,9Ar,9Bs)-4,6A-Dihydroxy-6,9-Dimethyl-3-Methylene-4,7,9A,9B-Tetrahydro-3Ah-Azuleno[5,4-D]Furan-2-One; Azuleno(4,5-B)Furan-2(3H)-One, 3A,4,6A,7,9A,9B-Hexahydro-4,6A-Dihydroxy-6,9-Dimethyl-3-Methylene-, (3Ar-(3Aalpha,4Alpha,6Aalpha,9Aalpha,9Bbeta))-; Rupicolin A
• Molecular Formula: C₁₅H₁₈O₄
• Molecular Weight: 262.30
• CAS Registry Number: 41653-82-1
• SMILES: [C@@H]12[C@H](C(=C)C(O1)=O)[C@H](C=C([C@]3([C@@H]2C(=CC3)C)O)C)O
• InChI: 1S/C15H18O4/c1-7-4-5-15(18)8(2)6-10(16)11-9(3)14(17)19-13(11)12(7)15/h4,6,10-13,16,18H,3,5H2,1-2H3/t10-,11+,12+,13-,15+/m0/s1
• InChIKey: ALNCFDHHBVHAKC-IHWVXMPCSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 497.125°C at 760 mmHg (Cal.)
• Flash point: 190.07°C (Cal.)