Kerasin
[CAS# 536-13-0]

Identification

• Name: Kerasin
• Synonyms: N-[(E,1S,2R)-2-Hydroxy-1-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Heptadec-3-Enyl]Tetracosanamide; N-[(E,1S,2R)-2-Hydroxy-1-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]Heptadec-3-Enyl]Tetracosanamide; N-[(E,1S,2R)-2-Hydroxy-1-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Heptadec-3-Enyl]Lignoceramide
• Molecular Formula: C₄₈H₉₃NO₈
• Molecular Weight: 812.26
• CAS Registry Number: 536-13-0
• SMILES: [C@H]1([C@H]([C@H]([C@@H](CO)O[C@H]1OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@@H](/C=C/CCCCCCCCCCCCC)O)O)O)O
• InChI: 1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1
• InChIKey: POQRWMRXUOPCLD-HIIAJUEOSA-N