10-Deoxymethynolide
[CAS# 81644-19-1]

Identification

• Name: 10-Deoxymethynolide
• Synonyms: (3R,4S,5S,7R,9E,11R,12R)-12-Ethyl-4-Hydroxy-3,5,7,11-Tetramethyl-1-Oxacyclododec-9-Ene-2,8-Quinone; E4h; Nchembio822-Comp3
• Molecular Formula: C₁₇H₂₈O₄
• Molecular Weight: 296.41
• CAS Registry Number: 81644-19-1
• SMILES: [C@H]1([C@@H](O)[C@H](C[C@H](C(=O)/C=C/[C@H]([C@H](OC1=O)CC)C)C)C)C
• InChI: 1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1
• InChIKey: NZUJVBSYQXETNF-PQWITYJESA-N

Properties

• Density: 0.973g/cm³ (Cal.)
• Boiling point: 460.654°C at 760 mmHg (Cal.)
• Flash point: 161.31°C (Cal.)

References

• (1): Giraldes et al.. Structural and Mechanistic Insights of Polyketide Macrolactonization from Polyketide-based Affinity Labels, Nature Chemical Biology, 2006