Rupicolin B
[CAS# 41653-83-2]

Identification

• Name: Rupicolin B
• Synonyms: (3Ar,4S,6As,9Ar,9Bs)-4,6A-Dihydroxy-9-Methyl-3,6-Dimethylene-3A,4,5,7,9A,9B-Hexahydroazuleno[5,4-D]Furan-2-One; Azuleno(4,5-B)Furan-2(3H)-One, 3A,4,5,6,6A,7,9A,9B-Octahydro-4,6A-Dihydroxy-9-Methyl-3,6-Bis(Methylene)-, (3Ar-(3Aalpha,4Alpha,6Aalpha,9Aalpha,9Bbeta))-; Rupicolin B
• Molecular Formula: C₁₅H₁₈O₄
• Molecular Weight: 262.30
• CAS Registry Number: 41653-83-2
• SMILES: [C@@H]12[C@H](C(=C)C(O1)=O)[C@H](CC([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/h4,10-13,16,18H,2-3,5-6H2,1H3/t10-,11+,12+,13-,15+/m0/s1
• InChIKey: ZDBHCMLPJQZVAX-IHWVXMPCSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Boiling point: 498°C at 760 mmHg (Cal.)
• Flash point: 190.436°C (Cal.)