121449-65-8 (阿尤加马林B 2,Ajugamarin B 2)

快速询单

结构式：

阿尤加马林B 2MOL文件

CAS号：

121449-65-8

中文名称：

阿尤加马林B 2

英文名称：

Ajugamarin B 2

分子式：

C₃₁H₄₄O₁₁

分子量：

592.674470901489

植物源：

紫背金盘

阿尤加马林B 2(121449-65-8)名称与标识符

名称

英文别名：

Butanoic acid,2-methyl-,(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5-[(2S)-2-(acetyloxy)-2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-4-ylester, (2S)-;[(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutan;Butanoic acid,2-methyl-,(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5-[(2S)-2-(acetyloxy)-2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]-8a;Butanoic acid,2-methyl-,(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5-[(2S)-2-(acetyloxy)-2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran;Ajugamarin B 2;Butanoic acid, 2-methyl-, 8-(acetyloxy)-5-(2-(acetyloxy)-2-(2,5-dihydro-5-oxo-3-furanyl)ethyl)-8a-((acetyloxy)methyl)octahydro-5,6- dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester, (1R-(1alpha,4beta(S*),4abeta,5beta(S*),6alpha,8alpha,8aalpha))-;8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5-[2-(acetyloxy)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl 2-methylbutanoate;121449-65-8;DTXSID90923815;

标识符

InChIKey：

UNNFPBMLPYVEEM-PKLXYFJKSA-N

Inchi：

1S/C31H44O11/c1-8-17(2)28(36)42-23-9-10-30(15-39-30)31(16-38-19(4)32)25(41-21(6)34)11-18(3)29(7,27(23)31)13-24(40-20(5)33)22-12-26(35)37-14-22/h12,17-18,23-25,27H,8-11,13-16H2,1-7H3/t17-,18+,23+,24-,25-,27+,29-,30?,31+/m0/s1

SMILES：

O1CC21CC[C@H]([C@@H]1[C@@](C)(C[C@@H](C3=CC(=O)OC3)OC(C)=O)[C@H](C)C[C@@H]([C@@]21COC(C)=O)OC(C)=O)OC([C@@H](C)CC)=O