(3E,7E)-2-Hydroxy-8-[[(2R)-2-[[(E,5S,6S)-5-Hydroxy-6-[(2R,3R)-3-Phenyloxiran-2-Yl]Hept-2-Enyl]Amino]-3-(4-Methoxyphenyl)Propanoyl]Amino]-4-Methyl-6-Oxonona-3,7-Dienoic Acid
[CAS# 155645-50-4]

Identification

• Name: (3E,7E)-2-Hydroxy-8-[[(2R)-2-[[(E,5S,6S)-5-Hydroxy-6-[(2R,3R)-3-Phenyloxiran-2-Yl]Hept-2-Enyl]Amino]-3-(4-Methoxyphenyl)Propanoyl]Amino]-4-Methyl-6-Oxonona-3,7-Dienoic Acid
• Synonyms: (3E,7E)-2-Hydroxy-8-[[(2R)-2-[[(E,5S,6S)-5-Hydroxy-6-[(2R,3R)-3-Phenyloxiran-2-Yl]Hept-2-Enyl]Amino]-3-(4-Methoxyphenyl)Propanoyl]Amino]-4-Methyl-6-Oxo-Nona-3,7-Dienoic Acid; (3E,7E)-2-Hydroxy-8-[[(2R)-2-[[(E,5S,6S)-5-Hydroxy-6-[(2R,3R)-3-Phenyl-2-Oxiranyl]Hept-2-Enyl]Amino]-3-(4-Methoxyphenyl)-1-Oxopropyl]Amino]-4-Methyl-6-Oxonona-3,7-Dienoic Acid; (3E,7E)-2-Hydroxy-8-[[(2R)-2-[[(E,5S,6S)-5-Hydroxy-6-[(2R,3R)-3-Phenyloxiran-2-Yl]Hept-2-Enyl]Amino]-3-(4-Methoxyphenyl)Propanoyl]Amino]-6-Keto-4-Methyl-Nona-3,7-Dienoic Acid
• Molecular Formula: C₃₅H₄₄N₂O₈
• Molecular Weight: 620.74
• CAS Registry Number: 155645-50-4
• SMILES: [C@@H]1(O[C@@H]1C2=CC=CC=C2)[C@H]([C@@H](O)C\C=C\CN[C@@H](C(=O)NC(=C/C(=O)C\C(=C\C(O)C(=O)O)C)/C)CC3=CC=C(OC)C=C3)C
• InChI: 1S/C35H44N2O8/c1-22(19-31(40)35(42)43)18-27(38)20-23(2)37-34(41)29(21-25-13-15-28(44-4)16-14-25)36-17-9-8-12-30(39)24(3)32-33(45-32)26-10-6-5-7-11-26/h5-11,13-16,19-20,24,29-33,36,39-40H,12,17-18,21H2,1-4H3,(H,37,41)(H,42,43)/b9-8+,22-19+,23-20+/t24-,29+,30-,31?,32+,33+/m0/s1
• InChIKey: OIPHOEVIUYQTRP-WZWBTZMDSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 870.84°C at 760 mmHg (Cal.)
• Flash point: 480.467°C (Cal.)