(3aR,5aS,7R,8S,8aR,9aR)-7,8-Dihydroxy-1,5,8-Trimethyl-1,3a,5a,6,7,8a,9,9a-Octahydroazuleno[5,6-d]Furan-2-One
[CAS# 38769-25-4]

Identification

• Name: (3aR,5aS,7R,8S,8aR,9aR)-7,8-Dihydroxy-1,5,8-Trimethyl-1,3a,5a,6,7,8a,9,9a-Octahydroazuleno[5,6-d]Furan-2-One
• Synonyms: Azuleno(6,5-B)Furan-2(3H)-One, 3A,4,4A,5,6,7,7A,9A-Octahydro-5,6-Dihydroxy-3,5,8-Trimethyl-, (3S-(3Alpha,3Abeta,4Abeta,5Beta,6Beta,7Abeta,9Abeta))-; Carolenalin
• Molecular Formula: C₁₅H₂₂O₄
• Molecular Weight: 266.34
• CAS Registry Number: 38769-25-4
• SMILES: [C@H]13[C@@H](C(=C[C@H]2[C@H](C1)C(C(=O)O2)C)C)C[C@H]([C@]3(O)C)O
• InChI: 1S/C15H22O4/c1-7-4-12-10(8(2)14(17)19-12)5-11-9(7)6-13(16)15(11,3)18/h4,8-13,16,18H,5-6H2,1-3H3/t8?,9-,10-,11-,12+,13-,15+/m1/s1
• InChIKey: XXFLOPBDRWUQBW-SEWJKWIKSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 428.197°C at 760 mmHg (Cal.)
• Flash point: 158.321°C (Cal.)