81053-26-1 (阿里达宁,Aridanin)

快速询单

结构式：

阿里达宁MOL文件

CAS号：

81053-26-1

中文名称：

阿里达宁

英文名称：

Aridanin

分子式：

C₃₈H₆₁NO₈

分子量：

659.892852544785

植物源：

艾丹树艾丹树

阿里达宁(81053-26-1)名称与标识符

名称

英文别名：

aridanin;C08922;Q27105836;CHEBI:2822;Olean-12-en-28-oic acid, 3-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)-, (3beta)-;(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;DTXSID101001739;(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;3-({2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl}oxy)olean-12-en-28-oic acid;Olean-12-en-28-oic acid, 3-[[2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl]oxy]-, (3.beta.)-;AC1L2JCT;KST-1A8590;BDBM50591797;CHEMBL505516;81053-26-1;

标识符

InChIKey：

VRFWJSCLROXBBW-FUHHSGJXSA-N

Inchi：

1S/C38H61NO8/c1-21(41)39-28-30(43)29(42)24(20-40)46-31(28)47-27-12-13-35(6)25(34(27,4)5)11-14-37(8)26(35)10-9-22-23-19-33(2,3)15-17-38(23,32(44)45)18-16-36(22,37)7/h9,23-31,40,42-43H,10-20H2,1-8H3,(H,39,41)(H,44,45)/t23-,24+,25-,26+,27-,28+,29+,30+,31-,35-,36+,37+,38-/m0/s1

SMILES：

O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)NC(C)=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CCC(C)(C)C[C@H]5C4=CC[C@@H]32)C1(C)C