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

Details

Stereochemistry ABSOLUTE
Molecular Formula C43H66O15
Molecular Weight 822.9751
Optical Activity UNSPECIFIED
Defined Stereocenters 21 / 21
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16-ACETYLGITOXIN

SMILES

[H][C@@]1(C[C@H](O)[C@H](O[C@@]2([H])C[C@H](O)[C@H](O[C@@]3([H])C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)O[C@H]4CC[C@@]5(C)[C@]([H])(CC[C@]6([H])[C@]5([H])CC[C@]7(C)[C@H]([C@H](C[C@]67O)OC(C)=O)C8=CC(=O)OC8)C4

InChI

InChIKey=NEBPBFLVSYFRQE-FVNRWCPUSA-N
InChI=1S/C43H66O15/c1-20-38(49)29(45)15-35(52-20)57-40-22(3)54-36(17-31(40)47)58-39-21(2)53-34(16-30(39)46)56-26-9-11-41(5)25(14-26)7-8-28-27(41)10-12-42(6)37(24-13-33(48)51-19-24)32(55-23(4)44)18-43(28,42)50/h13,20-22,25-32,34-40,45-47,49-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27+,28-,29+,30+,31+,32+,34+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
16-ACETYLGITOXIN
Common Name English
CARD-20(22)-ENOLIDE, 16-(ACETYLOXY)-3-((O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXY-, (3.BETA.,5.BETA.,16.BETA.)-
Systematic Name English
GITOXIN 16.BETA.-ACETATE
Common Name English
GITOXIGENIN TRIDIGITOXOSIDE-16-ACETATE
Common Name English
16-ACETYL GITOXIN
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90993235
Created by admin on Sat Dec 16 16:17:35 GMT 2023 , Edited by admin on Sat Dec 16 16:17:35 GMT 2023
PRIMARY
CHEBI
71020
Created by admin on Sat Dec 16 16:17:35 GMT 2023 , Edited by admin on Sat Dec 16 16:17:35 GMT 2023
PRIMARY
FDA UNII
B0P0OCH2K3
Created by admin on Sat Dec 16 16:17:35 GMT 2023 , Edited by admin on Sat Dec 16 16:17:35 GMT 2023
PRIMARY
PUBCHEM
10373263
Created by admin on Sat Dec 16 16:17:35 GMT 2023 , Edited by admin on Sat Dec 16 16:17:35 GMT 2023
PRIMARY
CAS
7242-07-1
Created by admin on Sat Dec 16 16:17:35 GMT 2023 , Edited by admin on Sat Dec 16 16:17:35 GMT 2023
PRIMARY