[(3S,6S)-1-Methyl-7-Oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Methoxy-8-Methylnon-6-Enoyl]Amino]Azepan-3-Yl] Tetradecanoate
[CAS# 104947-69-5]

Identification

• Name: [(3S,6S)-1-Methyl-7-Oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Methoxy-8-Methylnon-6-Enoyl]Amino]Azepan-3-Yl] Tetradecanoate
• Synonyms: [(3S,6S)-1-Methyl-7-Oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Methoxy-8-Methyl-Non-6-Enoyl]Amino]Azepan-3-Yl] Tetradecanoate; Tetradecanoic Acid [(3S,6S)-1-Methyl-7-Oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Methoxy-8-Methyl-1-Oxonon-6-Enyl]Amino]-3-Azepanyl] Ester; Myristic Acid [(3S,6S)-7-Keto-1-Methyl-6-[[(E,2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Methoxy-8-Methyl-Non-6-Enoyl]Amino]Azepan-3-Yl] Ester
• Molecular Formula: C₃₂H₅₈N₂O₈
• Molecular Weight: 598.82
• CAS Registry Number: 104947-69-5
• SMILES: [C@H](C(N[C@@H]1C(N(C[C@@H](OC(=O)CCCCCCCCCCCCC)CC1)C)=O)=O)([C@@H]([C@H]([C@@H](/C=C/C(C)C)O)O)O)OC
• InChI: 1S/C32H58N2O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(36)42-24-19-20-25(32(40)34(4)22-24)33-31(39)30(41-5)29(38)28(37)26(35)21-18-23(2)3/h18,21,23-26,28-30,35,37-38H,6-17,19-20,22H2,1-5H3,(H,33,39)/b21-18+/t24-,25-,26+,28-,29+,30+/m0/s1
• InChIKey: PFRKTXMXGDERHT-UCDUEDMDSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 773.954°C at 760 mmHg (Cal.)
• Flash point: 421.872°C (Cal.)