Anthracen-9-Yl [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-Methoxyoxan-2-Yl]Methyl 2-Hexyltridecanedioate
[CAS# 76282-99-0]

Identification

• Name: Anthracen-9-Yl [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-Methoxyoxan-2-Yl]Methyl 2-Hexyltridecanedioate
• Synonyms: 9-Anthryl [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-Methoxy-Tetrahydropyran-2-Yl]Methyl 2-Hexyltridecanedioate; 2-Hexyltridecanedioic Acid 9-Anthryl Ester [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-Methoxy-2-Tetrahydropyranyl]Methyl Ester; 2-Hexylbrassylic Acid 9-Anthryl Ester [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-Methoxy-Tetrahydropyran-2-Yl]Methyl Ester
• Molecular Formula: C₄₀H₅₆O₉
• Molecular Weight: 680.88
• CAS Registry Number: 76282-99-0
• SMILES: [C@@H]1(OC)[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)COC(CCCCCCCCCCC(CCCCCC)C(=O)OC3=C2C=CC=CC2=CC4=C3C=CC=C4)=O
• InChI: 1S/C40H56O9/c1-3-4-5-12-19-28(39(45)49-38-31-23-17-15-21-29(31)26-30-22-16-18-24-32(30)38)20-13-10-8-6-7-9-11-14-25-34(41)47-27-33-35(42)36(43)37(44)40(46-2)48-33/h15-18,21-24,26,28,33,35-37,40,42-44H,3-14,19-20,25,27H2,1-2H3/t28?,33-,35-,36+,37-,40+/m1/s1
• InChIKey: JCNBDQZRLSWJSJ-RXOVOYFBSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 792.431°C at 760 mmHg (Cal.)
• Flash point: 235.182°C (Cal.)