98618-76-9 (威福啶,Wilforidine)

快速询单

结构式：

威福啶MOL文件

CAS号：

98618-76-9

中文名称：

威福啶

英文名称：

Wilforidine

分子式：

C₃₆H₄₅NO₁₈

分子量：

779.738412618637

威福啶(98618-76-9)名称与标识符

名称

英文别名：

Wilforidine;DTXSID401318187;98618-76-9;CHEBI:132512;(1S,3R,18S,19R,20R,21S,22S,23R,24R,25R,26S)-21-[(acetyloxy)methyl]-15,19,26-trihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0(1,21).0(3,24).0(7,12)]hexacosa-7,9,11-triene-20,22,23,25-tetrayl tetraacetate;CHEMBL1950977;[(1S,3R,18S,19R,20R,21S,22S,23R,24R,25R,26S)-20,22,23,25-tetraacetyloxy-15,19,26-trihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate;(1S,3R,18S,19R,20R,21S,22S,23R,24R,25R,26S)-21-((acetyloxy)methyl)-15,19,26-trihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo(16.7.1.0(1,21).0(3,24).0(7,12))hexacosa-7,9,11-triene-20,22,23,25-tetrayl tetraacetate;((1S,3R,18S,19R,20R,21S,22S,23R,24R,25R,26S)-20,22,23,25-tetraacetyloxy-15,19,26-trihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo(16.7.1.01,21.03,24.07,12)hexacosa-7(12),8,10-trien-21-yl)methyl acetate;

标识符

InChIKey：

YISOUQSWAUFAAP-YIUQJZNOSA-N

Inchi：

1S/C36H45NO18/c1-16(38)48-15-35-28(52-19(4)41)24(43)27-34(8,47)36(35)26(51-18(3)40)23(25(50-17(2)39)29(35)53-20(5)42)33(7,55-36)14-49-30(44)21-10-9-13-37-22(21)11-12-32(6,46)31(45)54-27/h9-10,13,23-29,43,46-47H,11-12,14-15H2,1-8H3/t23-,24+,25-,26-,27+,28+,29-,32?,33+,34+,35+,36+/m1/s1

SMILES：

O1[C@@]2(C)COC(C3C=CC=NC=3CCC(C)(C(=O)O[C@H]3[C@@H]([C@@H]([C@@]4(COC(C)=O)[C@@H]([C@@H]([C@@H]2[C@H]([C@@]14[C@@]3(C)O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)O)O)=O