100991-83-1 (Bufa-20,22-二烯内酯，3-（乙酰氧基）-5,14,19-三羟基-，（3b，5b）-（9CI）,Bufa-20,22-dienolide,3-(acetyloxy)-5,14,19-trihydroxy-, (3b,5b)- (9CI))

快速询单

结构式：

Bufa-20,22-二烯内酯，3-（乙酰氧基）-5,14,19-三羟基-，（3b，5b）-（9CI）MOL文件

CAS号：

100991-83-1

中文名称：

Bufa-20,22-二烯内酯，3-（乙酰氧基）-5,14,19-三羟基-，（3b，5b）-（9CI）

英文名称：

Bufa-20,22-dienolide,3-(acetyloxy)-5,14,19-trihydroxy-, (3b,5b)- (9CI)

分子式：

C₂₆H₃₆O₇

分子量：

460.5598487854

Bufa-20,22-二烯内酯，3-（乙酰氧基）-5,14,19-三羟基-，（3b，5b）-（9CI）(100991-83-1)名称与标识符

名称

英文别名：

Bufa-20,22-dienolide,3-(acetyloxy)-5,14,19-trihydroxy-, (3b,5b)- (9CI);[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;Hellebrigeninmonoacetat [German];(3beta,5beta,8xi,9xi)-3-(acetyloxy)-5,14,19-trihydroxybufa-20,22-dienolide;3-beta,5,14,19-Tetrahydroxy-5-beta-bufa-20,22-dienolide 3-acetate;5-beta-Bufa-20,22-dienolide, 3-beta,5,14,19-tetrahydroxy-, 3-acetate;BRN 0062469;Hellebrigeninmonoacetat;Hellebrigenol-3-monoacetate;3β-(Acetyloxy)-5,14,19-trihydroxy-5β-bufa-20,22-dienolide;100991-83-1;Q27292603;3-(Acetyloxy)-5,14,19-trihydroxy-bufa-20,22-dienolide, (3beta,5beta)-;3-(ACETYLOXY)-5,14,19-TRIHYDROXY-BUFA-20,22-DIENOLIDE, (3.BETA.,5.BETA.)-;4-18-00-03150 (Beilstein Handbook Reference);WF8O36W7ZI;[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate;(3beta,5beta)-3-(acetyloxy)-5,14,19-trihydroxy-bufa-20,22-dienolide;BUFA-20,22-DIENOLIDE, 3-(ACETYLOXY)-5,14,19-TRIHYDROXY-, (3.BETA.,5.BETA.)-;UNII-WF8O36W7ZI;

标识符

InChIKey：

GBSYMBLHPNJBLH-XDFZRXKSSA-N

Inchi：

1S/C26H36O7/c1-16(28)33-18-5-10-24(15-27)20-6-9-23(2)19(17-3-4-22(29)32-14-17)8-12-26(23,31)21(20)7-11-25(24,30)13-18/h3-4,14,18-21,27,30-31H,5-13,15H2,1-2H3/t18-,19+,20-,21+,23+,24-,25-,26-/m0/s1

SMILES：

O[C@]12CC[C@H](C3=COC(C=C3)=O)[C@@]1(C)CC[C@@H]1[C@@]3(CO)CC[C@@H](C[C@]3(CC[C@H]12)O)OC(C)=O