4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-Heptol 3,7-Diacetate 15-[(R)-2-Methylbutanoate]
[CAS# 508-66-7]

Identification

• Name: 4alpha,9-Epoxycevane-3beta,4,7alpha,14,15alpha,16beta,20-Heptol 3,7-Diacetate 15-[(R)-2-Methylbutanoate]
• Synonyms: Brn 0075083
• Molecular Formula: C₃₆H₅₅NO₁₁
• Molecular Weight: 677.83
• CAS Registry Number: 508-66-7
• SMILES: [C@@H]1(CC[C@]2(C3[C@]1(O)OC27[C@@H]([C@@H](C3)OC(C)=O)C6([C@H]([C@@H]([C@@H]5[C@@](C)([C@@H]4CC[C@H](C)CN4C[C@H]5[C@@H]6C7)O)O)OC([C@@H](CC)C)=O)O)C)OC(C)=O
• InChI: 1S/C36H55NO11/c1-8-18(3)31(41)47-30-28(40)27-21(16-37-15-17(2)9-10-25(37)33(27,7)42)22-14-34-29(35(22,30)43)23(45-19(4)38)13-24-32(34,6)12-11-26(46-20(5)39)36(24,44)48-34/h17-18,21-30,40,42-44H,8-16H2,1-7H3/t17-,18+,21-,22-,23+,24?,25-,26-,27+,28+,29+,30-,32-,33+,34?,35?,36-/m0/s1
• InChIKey: ZRZLKBPAQMKVJY-XVLBHNOVSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 731.461°C at 760 mmHg (Cal.)
• Flash point: 396.173°C (Cal.)