4064-09-9 ((Hellebrigenin, 3-acetate)

快速询单

结构式：

Hellebrigenin, 3-acetateMOL文件

CAS号：

4064-09-9

英文名称：

Hellebrigenin, 3-acetate

分子式：

C₂₆H₃₄O₇

分子量：

458.543968677521

Hellebrigenin, 3-acetate(4064-09-9)名称与标识符

名称

英文别名：

Hellebrigenin, 3-acetate;3-O-acetylhellebrigenin;hellebrigenin-3-acetate;;5.beta.-Bufa-20, 3.beta.,5,14-trihydroxy-19-oxo-, 3-acetate;C08867;Hellebrigenin 3-acetate;CHEBI:5644;Bufa-20, 3-(acetyloxy)-5,14-dihydroxy-19-oxo-, (3.beta.,5.beta.)-;4064-09-9;AC1Q6ASK;[(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-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;Q27106846;HELLEBRIGENIN-3-ACETATE;NSC106676;AC1L6I64;NSC-106676;19-Oxo-3-beta,5,14-trihydroxy-5-beta-bufa-20,22-dienolide-3-acetate;NSC 106676;5-beta-BUFA-20,22-DIENOLIDE, 3-beta,5,14-TRIHYDROXY-19-OXO-, 3-ACETATE;BRN 0065090;5beta-Bufa-20,22-dienolide, 3beta,5,14-trihydroxy-19-oxo-, 3-acetate;4-18-00-03180 (Beilstein Handbook Reference);Bufa-20,22-dienolide, 3-(acetyloxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-;

标识符

InChIKey：

VIOBLZMEZRNYRR-XDFZRXKSSA-N

Inchi：

1S/C26H34O7/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/h3-4,14-15,18-21,30-31H,5-13H2,1-2H3/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(C=O)CC[C@@H](C[C@]3(CC[C@@H]21)O)OC(C)=O