Herboxidiene
[CAS# 142861-00-5]

Identification

• Name: Herboxidiene
• Synonyms: 2-[(2R,5S,6S)-6-[(1E,3E,5S)-6-[(2R,3R)-3-[(1R,2R,3R)-3-Hydroxy-2-Methoxy-1-Methyl-Butyl]-2-Methyl-Oxiran-2-Yl]-1,5-Dimethyl-Hexa-1,3-Dienyl]-5-Methyl-Tetrahydropyran-2-Yl]Acetic Acid; 2-[(2R,5S,6S)-6-[(1E,3E,5S)-6-[(2R,3R)-3-[(1R,2R,3R)-3-Hydroxy-2-Methoxy-1-Methylbutyl]-2-Methyl-2-Oxiranyl]-1,5-Dimethylhexa-1,3-Dienyl]-5-Methyl-2-Tetrahydropyranyl]Acetic Acid; 2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-4-Hydroxy-3-Methoxy-Pentan-2-Yl]-2-Methyl-Oxiran-2-Yl]-6-Methyl-Hepta-2,4-Dien-2-Yl]-5-Methyl-Oxan-2-Yl]Ethanoic Acid
• Molecular Formula: C₂₅H₄₂O₆
• Molecular Weight: 438.60
• CAS Registry Number: 142861-00-5
• SMILES: [C@@H]1(O[C@@]1(C[C@@H](\C=C\C=C(\[C@H]2O[C@H](CC[C@@H]2C)CC(=O)O)C)C)C)[C@@H]([C@@H](OC)[C@H](O)C)C
• InChI: 1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15-,17+,18-,19-,20-,22-,23-,24-,25-/m1/s1
• InChIKey: ISZXEMUWHQLLTC-LSIVYLFASA-N

Properties

• Density: 1.056g/cm³ (Cal.)
• Boiling point: 567.877°C at 760 mmHg (Cal.)
• Flash point: 181.877°C (Cal.)

References

• (1): Ghosh Arun K., Li Jianfeng. A Stereoselective Synthesis of (+)-Herboxidiene/GEX1A, Organic Letters, 2011