23643-76-7 (环素,Cyclamin)

快速询单

结构式：

环素MOL文件

CAS号：

23643-76-7

中文名称：

环素

英文名称：

Cyclamin

分子式：

C₅₈H₉₄O₂₇

分子量：

1223.35078191757

环素(23643-76-7)名称与标识符

名称

英文别名：

Cyclamin;(3beta,5xi,13xi,16alpha,17xi,18alpha)-16-hydroxy-29-oxo-13,28-epoxyoleanan-3-yl alpha-D-glucopyranosyl-(1->3)-[alpha-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)]-[beta-D-xylopyranosyl-(1->4)]-alpha-L-arabinopyranoside;(20S)-13,28-Epoxy-3β-[4-O-(3-O-β-D-glucopyranosyl-2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-2-O-β-D-glucopyranosyl-α-L-arabinopyranosyloxy]-16α-hydroxyoleanan-29-al;C08938;CHEMBL373379;DTXSID301318584;NS00093701;CHEBI:3987;Q27106281;Oleanan-29-al,28-epoxy-3-[(O-.beta.-D-glucopyranosyl-(1.fwdarw.3)-O-[.beta.-D-xylopyranosyl-(1.fwdarw.2)]-O-.beta.-D-glucopyranosyl-(1.fwdarw.4)-O-[.beta.-D-glucopyranosyl-(1.fwdarw.2)]-.alpha.-L-arabinopyranosyl)oxy]-16-hydroxy-, (3.beta.,16.alpha.,20.beta.)-;NSC-104795;CHEMBL1984356;NSC104795;Olean-29-al, 13,28-epoxy-3-((O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-2))-O-beta-D-glucopyranosyl-(1-4)-O-(beta-D-glucopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy)-16-hydroxy-, (3-beta,16-alpha,20-beta)-;NSC-135029;BRN 0078682;Sapogenins Glycosides;Oleanan-29-al, 13,28-epoxy-3-((O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-2))-O-beta-D-glucopyranosyl-(1-4)-O-(beta-D-glucopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy)-16-hydroxy-, (3beta,16alpha,20beta)-;8047-15-2;NSC 104795;4-18-00-01515 (Beilstein Handbook Reference);SAPONIN;13,28-Epoxy-3β-[[2-O-β-D-glucopyranosyl-4-O-(2-O-β-D-xylopyranosyl-3-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy]-16α-hydroxyoleanan-30-al;Cyclamin【saponin】;Oleanan-29-al, 13,28-epoxy-3-[(O-β-D-glucopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-16-hydroxy-, (3β,16α,20β)-;

标识符

InChIKey：

JPEQATLMKATGAQ-NMGIUSGWSA-N

Inchi：

1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-45(84-49-43(74)40(71)36(67)26(18-60)79-49)38(69)28(21-76-50)81-51-46(85-47-41(72)34(65)24(63)20-75-47)44(37(68)27(19-61)80-51)83-48-42(73)39(70)35(66)25(17-59)78-48/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38?,39+,40+,41-,42-,43-,44+,45-,46-,47+,48+,49+,50+,51+,53+,54+,55-,56+,57-,58+/m1/s1

SMILES：

O1C[C@]23CC[C@@](C=O)(C)C[C@H]2[C@@]21CC[C@@H]1[C@@]4(C)CC[C@@H](C(C)(C)[C@@H]4CC[C@@]1(C)[C@]2(C)C[C@H]3O)O[C@H]1[C@@H](C([C@H](CO1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O