Gedunine
[CAS# 2753-30-2]

Identification

• Name: Gedunine
• Synonyms: D-Homo-24-Nor-17-Oxachola-1,20,22-Triene-3,16-Dione, 7-(Acetyloxy)-14,15:21,23-Diepoxy-4,4,8-Trimethyl-, (5.Alpha.,7.Alpha.,13.Alpha.,14.Beta.,15.Beta.,17A.Alpha.)-; Gedunine; Nsc113497
• Molecular Formula: C₂₈H₃₄O₇
• Molecular Weight: 482.57
• CAS Registry Number: 2753-30-2
• SMILES: C6=C(C4OC(=O)C1OC15C2(C(C3(C(CC2OC(=O)C)C(C(=O)C=C3)(C)C)C)CCC45C)C)C=CO6
• InChI: 1S/C28H34O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3
• InChIKey: YJXDGWUNRYLINJ-UHFFFAOYSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 594.288°C at 760 mmHg (Cal.)
• Flash point: 313.215°C (Cal.)