(2E,10E,12E)-20-[(3-Carbamoyloxy-2-Methylbutanoyl)Amino]-19-Hydroxy-3,5,15-Trimethyl-7-Methylidene-17-Oxoicosa-2,10,12-Trienoic Acid
[CAS# 174513-95-2]

Identification

• Name: (2E,10E,12E)-20-[(3-Carbamoyloxy-2-Methylbutanoyl)Amino]-19-Hydroxy-3,5,15-Trimethyl-7-Methylidene-17-Oxoicosa-2,10,12-Trienoic Acid
• Synonyms: (2E,10E,12E)-20-[(3-Carbamoyloxy-2-Methyl-Butanoyl)Amino]-19-Hydroxy-3,5,15-Trimethyl-7-Methylene-17-Oxo-Icosa-2,10,12-Trienoic Acid; (2E,10E,12E)-20-[(3-Carbamoyloxy-2-Methyl-1-Oxobutyl)Amino]-19-Hydroxy-3,5,15-Trimethyl-7-Methylene-17-Oxoicosa-2,10,12-Trienoic Acid; (2E,10E,12E)-20-[(3-Carbamoyloxy-2-Methyl-Butanoyl)Amino]-19-Hydroxy-17-Keto-3,5,15-Trimethyl-7-Methylene-Icosa-2,10,12-Trienoic Acid
• Molecular Formula: C₃₀H₄₈N₂O₇
• Molecular Weight: 548.72
• CAS Registry Number: 174513-95-2
• SMILES: C(C(=O)CC(C/C=C/C=C/CCC(=C)CC(C/C(=C/C(=O)O)C)C)C)C(CNC(C(C(OC(=O)N)C)C)=O)O
• InChI: 1S/C30H48N2O7/c1-20(14-22(3)15-23(4)17-28(35)36)12-10-8-7-9-11-13-21(2)16-26(33)18-27(34)19-32-29(37)24(5)25(6)39-30(31)38/h7-9,11,17,21-22,24-25,27,34H,1,10,12-16,18-19H2,2-6H3,(H2,31,38)(H,32,37)(H,35,36)/b8-7+,11-9+,23-17+
• InChIKey: GENAAYFYLGYPIQ-FFPWVZAVSA-N

Properties

• Density: 1.09g/cm³ (Cal.)
• Boiling point: 778.173°C at 760 mmHg (Cal.)
• Flash point: 424.424°C (Cal.)