Phytuberin
[CAS# 37209-50-0]

Identification

• Name: Phytuberin
• Synonyms: C09709
• Molecular Formula: C₁₇H₂₆O₄
• Molecular Weight: 294.39
• CAS Registry Number: 37209-50-0
• SMILES: [C@@]123[C@](CO[C@@]1(C=CO2)C)(CC[C@@H](C(OC(=O)C)(C)C)C3)C
• InChI: 1S/C17H26O4/c1-12(18)21-14(2,3)13-6-7-15(4)11-20-16(5)8-9-19-17(15,16)10-13/h8-9,13H,6-7,10-11H2,1-5H3/t13-,15+,16-,17-/m1/s1
• InChIKey: YARAJYKHRCCDLG-XLNGHYISSA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 366.299°C at 760 mmHg (Cal.)
• Flash point: 157.506°C (Cal.)

References

• (1): I.A. Guzei, X. Wang, G.A. Kraus. An angularly fused three-ring precursor to phytuberin, Acta Cryst C 2000 Volume 56 Part 3 Page 389-390