beta-七叶素(11072-93-8)名称与标识符
名称
中文别名:
beta-七叶素;a-(苯硫基)苯乙酸;β-七叶素;β-七叶素 USP标准品;七叶素;七叶皂苷;BETA-七叶素(皂角素);七叶皂甙;B-七叶;
英文别名:
beta-Escin;beta-Aescinu;beta-Reparil;β-Escin;AESCIN IIB;b-Aescin crystalline;B-escin;Escin;Escin (350 mg);ESCIN IIB;ESCIN,MIXTURE OF SAPONINS OF THE SEED OF AESCULUS HIPPOTANUM THE SEED;β-Aescin;b-Aescin;BETA-AESCIN;beta-aescusan;Escin (beta-Escin);Beta-Aescin, technical grade;(2S,3S,4S,5R,6R)-6-[[(4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid;Sodium Aescinate,(S);MLS-0442920.0001;MLS002695979;11072-93-8;cid_16211024;MFCD00076054;Aescin, 98%;Aescin;AKOS015894943;SMR000127404;CHEMBL1875956;AESCINE;BDBM80094;Escin, >=95%, powder;Beta-Aescin, tech.;6805-41-0;AS-15594;AXNVHPCVMSNXNP-YSYFQUGBSA-N;
标识符
InChIKey:
AXNVHPCVMSNXNP-YSYFQUGBSA-N
Inchi:
1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26?,27-,28-,29?,30?,31-,32?,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43?,44+,47+,48-,49-,51?,52-,53?,54-,55?/m1/s1
SMILES:
O[C@@H]1C[C@]2(C)C(=CCC3C4(C)CCC([C@](C)(CO)C4CCC32C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O2)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)C2CC(C)(C)C([C@@H](C21CO)OC(C)=O)OC(/C(=C/C)/C)=O