Digoxigenin

CAT: 0931-T3212-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-T3212-03Size:1 mL - 10 mM (in DMSO)

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CAS Number

1672-46-4

Target

Others

Related Pathways

Others

Purity

0.9922

Bioactivity

Digoxigenin, a therapeutic drug belonging to the group of cardiac glycosides, is widely used in the management of congestive heart failure and other cardiac diseases

Smiles

O[C@@]12[C@@](C)([C@H](CC1)C=3COC(=O)C3)[C@H](O)C[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@H](O)C5)[H])[H])[H]

Molecular Formula

C23H34O5

Molecular Weight

390.51

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Digoxigenin

Digoxigenin is a hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis. It has a role as a hapten and a plant metabolite. It is a 3beta-sterol, a 3beta-hydroxy steroid, a 12beta-hydroxy steroid and a 14beta-hydroxy steroid. It is a conjugate acid of a digoxigenin(1-). It derives from a hydride of a 5beta-cardanolide.

CAS Number	1672-46-4
PubChem CID	15478
IUPAC Name	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
Molecular Formula	C23H34O5
Molecular Weight	390.5
XLogP	1.1
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	28
Formal Charge	0
Complexity	718

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

InChI

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

InChIKey

SHIBSTMRCDJXLN-KCZCNTNESA-N

Chemical Structure

2D Structure

CAS: 1672-46-4

CID: 15478

Formula: C23H34O5

MW: 390.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	390.5
XLogP3	1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	390.24062418
Monoisotopic Mass	390.24062418
Topological Polar Surface Area	87 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	718
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
T19877-01	Digitoxigenin
T83361-01	3-epi-Digitoxigenin
T131628-01	Digitoxigenin (Thevetigenin; Echujetin; Cerberigenin)
TN7904-01	Digitoxigenin-3-O-β-D-quinovoside

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Catalog	Name
B3099-10	Digoxigenin
80-1150	Digoxigenin-HRP
CS-O-13699	Digoxigenin Monodigitoxoside
HY-131486	Digoxigenin bisdigitoxoside
ANT-35323-100ug	Digoxigenin Antibody

Digoxigenin

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