Difficidin
[CAS# 95152-88-8]

Identification

• Name: Difficidin
• Synonyms: [(4E,6E,12Z,14Z,16E)-7,19-Dimethyl-20-Methylene-2-[(3E)-3-Methylhexa-3,5-Dienyl]-22-Oxo-1-Oxacyclodocosa-4,6,12,14,16-Pentaen-8-Yl] Dihydrogen Phosphate; [(4E,6E,12Z,14Z,16E)-22-Keto-7,19-Dimethyl-20-Methylene-2-[(3E)-3-Methylhexa-3,5-Dienyl]-1-Oxacyclodoc
• Molecular Formula: C₃₁H₄₅O₆P
• Molecular Weight: 544.67
• CAS Registry Number: 95152-88-8
• SMILES: C(C1OC(=O)CC(C(C\C=C\C=C/C=C\CCCC(O[P](=O)(O)O)C(=C/C=C/C1)/C)C)=C)C\C(=C\C=C)C
• InChI: 1S/C31H45O6P/c1-6-17-25(2)22-23-29-20-16-15-19-27(4)30(37-38(33,34)35)21-14-12-10-8-7-9-11-13-18-26(3)28(5)24-31(32)36-29/h6-11,13,15-17,19,26,29-30H,1,5,12,14,18,20-24H2,2-4H3,(H2,33,34,35)/b9-7-,10-8-,13-11+,16-15+,25-17+,27-19+
• InChIKey: ZUWUQYGHRURWCL-XUIVTPDHSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 710.0±70.0°C at 760 mmHg (Cal.)
• Flash point: 383.2±35.7°C (Cal.)