U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C50H82O23
Molecular Weight 1051.1723
Optical Activity UNSPECIFIED
Defined Stereocenters 32 / 32
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of F-GITONIN

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O[C@]6([H])O[C@H](CO)[C@H](O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]8([H])OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@]9([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]%10(CC[C@@H](C)CO%10)O2

InChI

InChIKey=AULWDENWMBJIIQ-KHXIKGBRSA-N
InChI=1S/C50H82O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h19-47,51-63H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24+,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-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
F-GITONIN
MI  
Common Name English
GITOGENIN .BETA.-LYCOTETRAOSIDE
Common Name English
F-GITONIN [MI]
Common Name English
.BETA.-D-GALACTOPYRANOSIDE, (2.ALPHA.,3.BETA.,5.ALPHA.,25R)-2-HYDROXYSPIROSTAN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-XYLOPYRANOSYL-(1->3))-O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-
Systematic Name English
F-GITONIN, (-)-
Common Name English
GITOGENIN 3-O-.BETA.-LYCOTETRAOSIDE
Common Name English
Code System Code Type Description
MERCK INDEX
m5737
Created by admin on Sat Dec 16 08:12:14 GMT 2023 , Edited by admin on Sat Dec 16 08:12:14 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID601043415
Created by admin on Sat Dec 16 08:12:14 GMT 2023 , Edited by admin on Sat Dec 16 08:12:14 GMT 2023
PRIMARY
CAS
28591-01-7
Created by admin on Sat Dec 16 08:12:14 GMT 2023 , Edited by admin on Sat Dec 16 08:12:14 GMT 2023
PRIMARY
PUBCHEM
44559009
Created by admin on Sat Dec 16 08:12:14 GMT 2023 , Edited by admin on Sat Dec 16 08:12:14 GMT 2023
PRIMARY
FDA UNII
97MUO7997G
Created by admin on Sat Dec 16 08:12:14 GMT 2023 , Edited by admin on Sat Dec 16 08:12:14 GMT 2023
PRIMARY