七叶皂苷钠(20977-05-3)名称与标识符
名称
中文别名:
七叶皂苷钠;七叶皂苷钠(标准品);七叶皂甙钠;■七叶皂苷钠;七叶皂苷钠 标准品;七叶皂苷钠对照品;七叶皂苷钠(混合物,鉴别用);七叶皂苷钠(对照品);
英文别名:
Escin, monosodium salt;Sodium escinate;Aescin polysulphate sodium salt;Entsufon SodiuM;Sodium Aescinate;butanoic acid, 3-(acetyloxy)-2-methyl-, (5xi,8xi,9xi,10xi,16alpha,17xi,18xi,21beta)-16,21-epoxy-3-[[O-alpha-D-glucopyranosyl-(1->4)-O-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranuronosyl]oxy]-22,24-dihydroxyolean-12-en-28-yl ester, monosodium salt;Escin monosodium salt;Sodium;(2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,7R,8R,9S,12R,13R,17S,20S,21R,22S)-22-[(3-acetyloxy-2-methylbut;Escin, sodium salt;Na-Aescinat;Aescin sodium salt;Aescusan sodium salt;Sodium-Aescinate;Escin,monosodiumsalt;EINECS 244-133-4;C54H84NaO23;PD087204;20977-05-3;D85121;AKOS026750634;DA-67664;A-4760;NS00123402;OJTQULAMLNBGOY-RRKCPRGASA-N;
标识符
InChIKey:
OJTQULAMLNBGOY-RRKCPRGASA-N
Inchi:
1S/C54H84O23.Na/c1-22(23(2)71-24(3)57)45(68)70-21-54-26-16-49(4,5)43(42(54)65)73-32(54)17-53(9)25(26)10-11-30-50(6)14-13-31(51(7,20-56)29(50)12-15-52(30,53)8)74-48-40(76-46-36(62)33(59)27(58)19-69-46)38(64)39(41(77-48)44(66)67)75-47-37(63)35(61)34(60)28(18-55)72-47;/h10,22-23,26-43,46-48,55-56,58-65H,11-21H2,1-9H3,(H,66,67);/q;+1/t22?,23?,26?,27-,28-,29?,30?,31?,32-,33+,34-,35+,36-,37-,38+,39+,40-,41+,42?,43-,46+,47-,48-,50?,51-,52?,53-,54?;/m1./s1
SMILES:
[Na+].O1[C@@]2([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C3([H])C4=C([H])C([H])([H])C5([H])C6(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([C@](C([H])([H])[H])(C([H])([H])O[H])C6([H])C([H])([H])C([H])([H])C5(C([H])([H])[H])[C@]4(C([H])([H])[H])C([H])([H])[C@]1([H])C3(C([H])([H])OC(C([H])(C([H])([H])[H])C([H])(C([H])([H])[H])OC(C([H])([H])[H])=O)=O)C2([H])O[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O[H])O1)O[C@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])O[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])(C([H])([H])O1)O[H])O[H])O[H]