25514-28-7 (鸦胆子内酯,Picras-3-en-21-oic acid,13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester, (11b,12a,15b)-)

快速询单

结构式：

鸦胆子内酯MOL文件

CAS号：

25514-28-7

中文名称：

鸦胆子内酯

英文名称：

Picras-3-en-21-oic acid,13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester, (11b,12a,15b)-

分子式：

C₂₁H₂₆O₁₀

分子量：

438.425147533417

鸦胆子内酯(25514-28-7)名称与标识符

名称

中文别名：

鸦胆子内酯;

英文别名：

Picras-3-en-21-oic acid,13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester, (11b,12a,15b)-;BRUCEOLIDE;Methyl (11beta,12alpha,15beta)-13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxopicras-3-en-21-oate;Nsc 238185;Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-;CHEBI:65529;25514-28-7;CHEMBL140588;methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3,10,15,16-tetrahydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate;Q27133978;DTXSID30948401;YLWQKYSDNGHLAO-PWRINDRCSA-N;Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester,(11beta,12alpha,15beta)-;methyl (11beta,12alpha,15beta)-3,11,12,15-tetrahydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate;NSC-238185;NSC238185;

标识符

InChIKey：

YLWQKYSDNGHLAO-PWRINDRCSA-N

Inchi：

1S/C21H26O10/c1-7-8-4-10-20-6-30-21(18(28)29-3,15(20)13(25)17(27)31-10)16(26)12(24)14(20)19(8,2)5-9(22)11(7)23/h8,10,12-16,23-26H,4-6H2,1-3H3/t8-,10+,12+,13+,14+,15+,16-,19-,20+,21-/m0/s1

SMILES：

O1C[C@@]23[C@H]4C[C@H]5C(C)=C(C(C[C@]5(C)[C@H]2[C@H]([C@@H]([C@]1(C(=O)OC)[C@@H]3[C@H](C(=O)O4)O)O)O)=O)O