Deoxaphomin
[CAS# 51053-39-5]

Identification

• Name: Deoxaphomin
• Synonyms: Deoxaphomine; Desoxaphomin
• Molecular Formula: C₂₉H₃₇NO₄
• Molecular Weight: 463.62
• CAS Registry Number: 51053-39-5
• SMILES: C4=C(CC1NC(=O)C23C1C(C(C(O)C2\C=C\CC(CCCC(O)/C=C/C3=O)C)=C)C)C=CC=C4
• InChI: 1S/C29H37NO4/c1-18-9-7-13-22(31)15-16-25(32)29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+
• InChIKey: GPCJCBIEJCXNKC-LFKALUBKSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 706.3±60.0°C at 760 mmHg (Cal.)
• Flash point: 381.0±32.9°C (Cal.)