O-(N-Dansylamino-3-Tetradecanoyl)-12,O-Acetyl-13-Phorbol
[CAS# 93240-40-5]

Identification

• Name: O-(N-Dansylamino-3-Tetradecanoyl)-12,O-Acetyl-13-Phorbol
• Synonyms: Dansyl-12-O-Tetradecanoyl Phorbol 13-Acetate; O-(N-Dansylamino-3-Tetradecanoyl)-12,O-Acetyl-13-Phorbol; Tetradecanoic Acid, 3-(((5-(Dimethylamino)-1-Naphthalenyl)Sulfonyl)Amino)-, (Sp-4-2)-
• Molecular Formula: C₄₈H₆₈N₂O₁₀S
• Molecular Weight: 865.13
• CAS Registry Number: 93240-40-5
• SMILES: C1=CC=C6C(=C1[S](=O)(=O)NC(CC(OC3C2(OC(=O)C)C(C2(C)C)C5C(O)(C3C)C4C(O)(C(=O)C(=C4)C)CC(=C5)CO)=O)CCCCCCCCCCC)C=CC=C6N(C)C
• InChI: 1S/C48H68N2O10S/c1-9-10-11-12-13-14-15-16-17-20-34(49-61(57,58)39-24-19-21-35-36(39)22-18-23-38(35)50(7)8)27-41(53)59-44-31(3)47(56)37(42-45(5,6)48(42,44)60-32(4)52)26-33(29-51)28-46(55)40(47)25-30(2)43(46)54/h18-19,21-26,31,34,37,40,42,44,49,51,55-56H,9-
• InChIKey: PTPNZPDZZJBWHN-UHFFFAOYSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 910.058°C at 760 mmHg (Cal.)
• Flash point: 504.185°C (Cal.)