Stenophylline A
[CAS# 91450-13-4]

Identification

• Name: Stenophylline A
• Molecular Formula: C₃₇H₅₅NO₁₀
• Molecular Weight: 673.84
• CAS Registry Number: 91450-13-4
• SMILES: [C@H]34C1(O[C@@]2(O)C([C@@]1(CC[C@@]2(O)C\C=C(C(=O)O)\C)C)C[C@H]3O)C[C@@H]5C4[C@@](O)([C@H](O)[C@H]6[C@H]5CN7[C@H]([C@@H]6C)CC[C@@H](C7)C)C\C=C(C(=O)O)\C
• InChI: 1S/C37H55NO10/c1-18-6-7-24-21(4)27-23(17-38(24)16-18)22-15-36-29(28(22)35(46,30(27)40)11-9-20(3)32(43)44)25(39)14-26-33(36,5)12-13-34(45,37(26,47)48-36)10-8-19(2)31(41)42/h8-9,18,21-30,39-40,45-47H,6-7,10-17H2,1-5H3,(H,41,42)(H,43,44)/b19-8-,20-9-/t18-,21
• InChIKey: NQQDXUQABFCHGS-HQSXMINWSA-N

Properties

• Density: 1.399g/cm³ (Cal.)
• Boiling point: 837.578°C at 760 mmHg (Cal.)
• Flash point: 460.351°C (Cal.)