867010-86-4 (((2R)-2-(Acetyloxy)-N-[(1S,2R,3E,7E)-2-(benzoyloxy)-8-methyl-1-[[(2,3,4,6-tetra-O-benzoyl-β-D-glucopyranosyl)oxy]methyl]-3,7-heptadecadien-1-yl]hexadecanamide)

CAS号:
867010-86-4
英文名称:
(2R)-2-(Acetyloxy)-N-[(1S,2R,3E,7E)-2-(benzoyloxy)-8-methyl-1-[[(2,3,4,6-tetra-O-benzoyl-β-D-glucopyranosyl)oxy]methyl]-3,7-heptadecadien-1-yl]hexadecanamide
分子式:
C78H99NO15
分子量:
1290.61838459969

(2R)-2-(Acetyloxy)-N-[(1S,2R,3E,7E)-2-(benzoyloxy)-8-methyl-1-[[(2,3,4,6-tetra-O-benzoyl-β-D-glucopyranosyl)oxy]methyl]-3,7-heptadecadien-1-yl]hexadecanamide(867010-86-4)名称与标识符

名称

英文别名:
(2R)-2-(Acetyloxy)-N-[(1S,2R,3E,7E)-2-(benzoyloxy)-8-methyl-1-[[(2,3,4,6-tetra-O-benzoyl-β-D-glucopyranosyl)oxy]methyl]-3,7-heptadecadien-1-yl]hexadecanamide;

标识符

InChIKey:
KFEJQSPBOOZOTC-IJHBJTTJSA-N
Inchi:
1S/C78H99NO15/c1-5-7-9-11-13-14-15-16-17-19-21-40-55-67(89-59(4)80)72(81)79-65(66(90-74(83)61-46-32-24-33-47-61)54-41-22-29-43-58(3)42-28-20-18-12-10-8-6-2)56-88-78-71(94-77(86)64-52-38-27-39-53-64)70(93-76(85)63-50-36-26-37-51-63)69(92-75(84)62-48-34-25-35-49-62)68(91-78)57-87-73(82)60-44-30-23-31-45-60/h23-27,30-39,41,43-54,65-71,78H,5-22,28-29,40,42,55-57H2,1-4H3,(H,79,81)/b54-41+,58-43+/t65-,66+,67+,68+,69+,70-,71+,78+/m0/s1
SMILES:
C(N[C@@H](CO[C@@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C1=CC=CC=C1)[C@H](OC(=O)C1=CC=CC=C1)/C=C/CC/C=C(\C)/CCCCCCCCC)(=O)[C@H](OC(C)=O)CCCCCCCCCCCCCC

(2R)-2-(Acetyloxy)-N-[(1S,2R,3E,7E)-2-(benzoyloxy)-8-methyl-1-[[(2,3,4,6-tetra-O-benzoyl-β-D-glucopyranosyl)oxy]methyl]-3,7-heptadecadien-1-yl]hexadecanamide(867010-86-4)物化性质

实验特性

  • 沸点 : 1138.0±65.0 °C(Predicted)
  • 酸度系数(pKa) : 12.99±0.46(Predicted)
  • 密度 : 1.17±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)