Pederin
[CAS# 27973-72-4]

Identification

• Name: Pederin
• Synonyms: (2S)-N-[(S)-[(2S,4R,6R)-6-[(2S)-2,3-Dimethoxypropyl]-4-Hydroxy-5,5-Dimethyl-Tetrahydropyran-2-Yl]-Methoxy-Methyl]-2-Hydroxy-2-[(2R,5R,6R)-2-Methoxy-5,6-Dimethyl-4-Methylene-Tetrahydropyran-2-Yl]Acetamide; (2S)-N-[(S)-[(2S,4R,6R)-6-[(2S)-2,3-Dimethoxypropyl]-4-Hydroxy-5,5-Dimethyl-2-Tetrahydropyranyl]-Methoxymethyl]-2-Hydroxy-2-[(2R,5R,6R)-2-Methoxy-5,6-Dimethyl-4-Methylene-2-Tetrahydropyranyl]Acetamide; (2S)-N-[(S)-[(2S,4R,6R)-6-[(2S)-2,3-Dimethoxypropyl]-4-Hydroxy-5,5-Dimethyl-Oxan-2-Yl]-Methoxy-Methyl]-2-Hydroxy-2-[(2R,5R,6R)-2-Methoxy-5,6-Dimethyl-4-Methylidene-Oxan-2-Yl]Ethanamide
• Molecular Formula: C₂₅H₄₅NO₉
• Molecular Weight: 503.63
• CAS Registry Number: 27973-72-4
• SMILES: [C@@]1(O[C@H](C)[C@@H](C(C1)=C)C)([C@@H](C(N[C@H]([C@H]2O[C@H](C[C@H](OC)COC)C([C@@H](C2)O)(C)C)OC)=O)O)OC
• InChI: 1S/C25H45NO9/c1-14-12-25(33-9,35-16(3)15(14)2)21(28)22(29)26-23(32-8)18-11-19(27)24(4,5)20(34-18)10-17(31-7)13-30-6/h15-21,23,27-28H,1,10-13H2,2-9H3,(H,26,29)/t15-,16-,17+,18+,19-,20-,21-,23+,25-/m1/s1
• InChIKey: ZNEZZONMADKYTB-VRCUBXEUSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 636.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 338.5±31.5°C (Cal.)

References

• (1): Fisch et al.. Polyketide assembly lines of uncultivated sponge symbionts from structure-based gene targeting, Nature Chemical Biology, 2009