862286-47-3 (绞股蓝皂苷BP2214,Gypenoside BP2214)

CAS号:
862286-47-3
中文名称:
绞股蓝皂苷BP2214
英文名称:
Gypenoside BP2214
分子式:
C49H78O18
分子量:
955.132837772369
植物源:

绞股蓝皂苷BP2214(862286-47-3)名称与标识符

名称

中文别名:
绞股蓝皂苷BP2214;
英文别名:
Dammar-​24-​en-​21-​oic acid, 3-​[(O-​6-​deoxy-​α-​L-​mannopyranosyl-​(1→2)​-​O-​[β-​D-​xylopyranosyl-​(1→3)​]​-​6-​O-​acetyl-​β-​D-​glucopyranosyl)​oxy]​-​20,​23-​dihydroxy-​, γ-​lactone, (3β,​20R,​23R)​-;Dammar-24-en-21-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-6-O-acetyl-β-D-glucopyranosyl)oxy]-20,23-dihydroxy-, γ-lactone, (3β,20R,23R)-;Gypenoside BP2214;

标识符

InChIKey:
AXBJYHWXSQPRFA-CPCOBTRLSA-N
Inchi:
1S/C49H78O18/c1-22(2)18-25-19-49(59,44(58)63-25)27-12-16-47(8)26(27)10-11-31-46(7)15-14-32(45(5,6)30(46)13-17-48(31,47)9)65-43-40(67-42-38(57)36(55)33(52)23(3)62-42)39(35(54)29(64-43)21-60-24(4)50)66-41-37(56)34(53)28(51)20-61-41/h18,23,25-43,51-57,59H,10-17,19-21H2,1-9H3/t23-,25-,26+,27-,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,43-,46-,47+,48+,49+/m0/s1
SMILES:
C[C@@]12CC[C@]([H])([C@]3(C(O[C@@H](C=C(C)C)C3)=O)O)[C@@]1([H])CC[C@]1([H])[C@]3(CC[C@H](O[C@]4([H])O[C@H](COC(=O)C)[C@@H](O)[C@H](O[C@]5([H])OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@]4([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C

绞股蓝皂苷BP2214(862286-47-3)物化性质

实验特性

  • 沸点 : 979.8±65.0 °C(Predicted)
  • 酸度系数(pKa) : 12.69±0.70(Predicted)
  • 密度 : 1.36±0.1 g/cm3(Predicted)