6-Deoxyerythronolide B
[CAS# 15797-36-1]

Identification

• Name: 6-Deoxyerythronolide B
• Synonyms: (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-Ethyl-4,6,12-Trihydroxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Quinone; Nchembio824-Comp8; 6-Deoxyerythronolide B
• Molecular Formula: C₂₁H₃₈O₆
• Molecular Weight: 386.53
• CAS Registry Number: 15797-36-1
• SMILES: [C@H]1(O)[C@H]([C@H](OC(=O)[C@@H]([C@@H](O)[C@@H]([C@@H](O)[C@H](C[C@H](C(=O)[C@@H]1C)C)C)C)C)CC)C
• InChI: 1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1
• InChIKey: HQZOLNNEQAKEHT-IBBGRPSASA-N

Properties

• Density: 1.015g/cm³ (Cal.)
• Boiling point: 561.661°C at 760 mmHg (Cal.)
• Flash point: 187.529°C (Cal.)

References

• (1): Akey et al.. Structural Basis for Macrolactonization by the Pikromycin Thioesterase, Nature Chemical Biology, 2006