N-[(4E)-1-{[Hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]pentacosanamide
[CAS# 71965-57-6]

Identification

• Name: N-[(4E)-1-{[Hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]pentacosanamide
• Synonyms: 7C-aglycone; Biotin sulfone; Galactan
• Molecular Formula: C₆₁H₁₁₅NO₁₈
• Molecular Weight: 1150.56
• CAS Registry Number: 71965-57-6
• SMILES: CCCCCCCCCCCCC\C=C\C(O)C(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)COC3OC(CO)C(OC2OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)C(O)C3O
• InChI: 1S/C61H115NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-49(67)62-44(45(66)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)43-75-59-55(73)52(70)57(47(41-64)77-59)80-61-56(74)53(71)58(48(42-65)78-61)79-60-54(72)51(69)50(68)46(40-63)76-60/h36,38,44-48,50-61,63-66,68-74H,3-35,37,39-43H2,1-2H3,(H,62,67)/b38-36+
• InChIKey: KTCNLGUVWRZEDW-BSKJHSHCSA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Boiling point: 1167.624°C at 760 mmHg (Cal.)
• Flash point: 659.955°C (Cal.)