(3beta,4alpha,9beta,16beta,22xi)-4,12,14,16,17,20-Hexahydroxy-4,9-Epoxycevan-3-Yl (2Z)-2-Methyl-2-Butenoate
[CAS# 15585-38-3]

Identification

• Name: (3beta,4alpha,9beta,16beta,22xi)-4,12,14,16,17,20-Hexahydroxy-4,9-Epoxycevan-3-Yl (2Z)-2-Methyl-2-Butenoate
• Synonyms: 15585-38-3 (MONOSULFATE); 7770-31-2 (HEMISULFATE); Cevadin
• Molecular Formula: C₃₂H₄₉NO₉
• Molecular Weight: 591.73
• CAS Registry Number: 15585-38-3
• SMILES: O=C(O[C@H]7CC[C@@]1([C@]65O[C@@]7(O)[C@H]1CC[C@H]6[C@@]2(O)[C@](O)([C@H]4[C@](O)([C@@H](O)C2)[C@@](O)(C)C3N(C[C@@H](C)CC3)C4)C5)C)\C(=C/C)C
• InChI: 1S/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22?,23-,24-,26-,27+,28+,29+,30+,31-,32-/m0/s1
• InChIKey: DBUCFOVFALNEOO-WERDMKMJSA-N

Properties

• Density: 1.413g/cm³ (Cal.)
• Boiling point: 733.342°C at 760 mmHg (Cal.)
• Flash point: 397.311°C (Cal.)
• Refractive index: 1.647 (Cal.)