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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H34O5
Molecular Weight 390.5131
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIGOXIGENIN

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@H](O)C2

InChI

InChIKey=SHIBSTMRCDJXLN-KCZCNTNESA-N
InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H34O5
Molecular Weight 390.5131
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:40:58 UTC 2023
Edited
by admin
on Fri Dec 15 19:40:58 UTC 2023
Record UNII
NQ1SX9LNAU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIGOXIGENIN
HSDB   MI  
Common Name English
DIGOXIGENIN [MI]
Common Name English
DIGOXIN IMPURITY C [EP IMPURITY]
Common Name English
3.BETA.,12.BETA.,14-TRIHYDROXY-5.BETA.-CARD-20(22)-ENOLIDE
Systematic Name English
DIGOXIGENIN [HSDB]
Common Name English
Code System Code Type Description
CAS
1672-46-4
Created by admin on Fri Dec 15 19:40:58 UTC 2023 , Edited by admin on Fri Dec 15 19:40:58 UTC 2023
PRIMARY
MESH
D004076
Created by admin on Fri Dec 15 19:40:58 UTC 2023 , Edited by admin on Fri Dec 15 19:40:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID6051778
Created by admin on Fri Dec 15 19:40:58 UTC 2023 , Edited by admin on Fri Dec 15 19:40:58 UTC 2023
PRIMARY
HSDB
7108
Created by admin on Fri Dec 15 19:40:58 UTC 2023 , Edited by admin on Fri Dec 15 19:40:58 UTC 2023
PRIMARY
PUBCHEM
15478
Created by admin on Fri Dec 15 19:40:58 UTC 2023 , Edited by admin on Fri Dec 15 19:40:58 UTC 2023
PRIMARY
ECHA (EC/EINECS)
216-806-2
Created by admin on Fri Dec 15 19:40:58 UTC 2023 , Edited by admin on Fri Dec 15 19:40:58 UTC 2023
PRIMARY
DRUG BANK
DB03671
Created by admin on Fri Dec 15 19:40:58 UTC 2023 , Edited by admin on Fri Dec 15 19:40:58 UTC 2023
PRIMARY
WIKIPEDIA
DIGOXIGENIN
Created by admin on Fri Dec 15 19:40:58 UTC 2023 , Edited by admin on Fri Dec 15 19:40:58 UTC 2023
PRIMARY
CHEBI
145797
Created by admin on Fri Dec 15 19:40:58 UTC 2023 , Edited by admin on Fri Dec 15 19:40:58 UTC 2023
PRIMARY
MERCK INDEX
m4455
Created by admin on Fri Dec 15 19:40:58 UTC 2023 , Edited by admin on Fri Dec 15 19:40:58 UTC 2023
PRIMARY Merck Index
FDA UNII
NQ1SX9LNAU
Created by admin on Fri Dec 15 19:40:58 UTC 2023 , Edited by admin on Fri Dec 15 19:40:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP