1000992-24-4 (((3β,6α,16β,24R)-20,24-Epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside)

CAS号:
1000992-24-4
英文名称:
(3β,6α,16β,24R)-20,24-Epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
分子式:
C42H70O14
分子量:
798.99681520462

(3β,6α,16β,24R)-20,24-Epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside(1000992-24-4)名称与标识符

名称

英文别名:
(3β,6α,16β,24R)-20,24-Epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside;

标识符

InChIKey:
YKXABVVIAPKRHO-HYWVYIQRSA-N
Inchi:
1S/C42H70O14/c1-19-26(45)28(47)30(49)34(53-19)52-17-22-27(46)29(48)31(50)35(54-22)55-24-10-12-42-18-41(42)14-13-38(6)33(40(8)11-9-25(56-40)37(4,5)51)21(44)16-39(38,7)23(41)15-20(43)32(42)36(24,2)3/h19-35,43-51H,9-18H2,1-8H3/t19-,20+,21+,22+,23-,24+,25+,26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,38+,39-,40-,41?,42+/m0/s1
SMILES:
O([C@H]1[C@@]([C@]2([C@]3(CC43[C@]([H])([C@]3([C@@](CC4)(C)[C@@H]([C@]4(O[C@@H](C(O)(C)C)CC4)C)[C@H](O)C3)C)C[C@H]2O)CC1)[H])(C)C)[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

(3β,6α,16β,24R)-20,24-Epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside(1000992-24-4)物化性质

实验特性

  • 沸点 : 905.9±65.0 °C(Predicted)
  • 熔点 : 219-221 °C(Solvent: Methanol)
  • 酸度系数(pKa) : 12.89±0.70(Predicted)
  • 密度 : 1.37±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)