digoxigenin (Q420728)

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chemical compound
  • 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-10,13-dimethyl-3,12,14-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
  • 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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Language Label Description Also known as
English
digoxigenin
chemical compound
  • 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-10,13-dimethyl-3,12,14-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
  • 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Statements

subclass of
cardanolides
0 references
chemical structure
Digoxigenin.svg
660 × 535; 18 KB
0 references
mass
390.241 dalton
1 reference
stated in
PubChem
PubChem CID
15478
language of work or name
English
title
Digoxigenin (English)
retrieved
19 October 2016
chemical formula
C₂₃H₃₄O₅
1 reference
stated in
PubChem
PubChem CID
15478
language of work or name
English
title
Digoxigenin (English)
retrieved
19 October 2016
canonical SMILES
CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)O
1 reference
stated in
PubChem
PubChem CID
15478
language of work or name
English
title
Digoxigenin (English)
retrieved
19 October 2016
isomeric SMILES
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O
1 reference
stated in
PubChem
PubChem CID
15478
language of work or name
English
title
Digoxigenin (English)
retrieved
19 October 2016

Identifiers

ZVG number
36220
0 references
HSDB ID
7108
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
7108
publication date
28 October 2019
title
Digoxigenin (English)
retrieved
10 May 2021
ECHA Substance Infocard ID
100.015.279
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.015.279
retrieved
27 December 2018
title
(3β,5β,12β)-3,12,14-trihydroxycard-20(22)-enolide (English)
quotation
CAS no.: 1672-46-4 (English)
MeSH descriptor ID
D004076
subject named as
Digoxigenin
0 references
PDB ligand ID
DOG
0 references
CAB ID
84527
1 reference
stated in
CAB Thesaurus
retrieved
6 April 2020
 
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