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Steroids and sterols

Digitalin

Also known as Glucostrospeside, Digitalinum verum, Digitalinum true

CAS 752-61-4Formula C36H56O14Molar mass 712.83 g/molEC 212-036-6
Drug substance
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Digitalin chemical structure, C36H56O14, CAS 752-61-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
752-61-4
Formula
C36H56O14
Molar mass
712.83 g/mol
EC number
212-036-6
HS code
293890
Category
Steroids and sterols

What is Digitalin?

Plain description, key identifiers and synonyms

Digitalin is a cardenolide glycoside. It is functionally related to a gitoxigenin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-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
CAS number
752-61-4 CAS number cross-checked
EC number
212-036-6
Molecular formula
C36H56O14
UNII
Q15ECE254B
InChIKey
CKNOLMVLQUPVMU-YMMLYESFSA-N
InChI
InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+/m1/s1
Canonical SMILES
COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O
Isomeric SMILES
C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)O)O)C)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

Synonyms

  • Glucostrospeside
  • Digitalinum verum
  • Digitalinum true
  • Digitalinum
  • Gitoxigenin 3-O-glucosyldigitaloside
  • 3beta-(4-O-beta-D-Glucopyranosyl-3-O-methyl-6-deoxy-beta-D-galactopyranosyloxy)-14,16beta-dihydroxy-5beta-card-20(22)-enolide
  • Digitalum verum
  • Diginorgin
  • Digitalin (glycoside)
  • Schmiedebergs digitalin
  • Gitoxigenin-glucodigitalosid
  • Schmiedeberg's digitalin
  • Digitalinum verum (Glucostrospeside)
  • Digitalin, Gitoxigenin 3-O-glucosyldigitaloside, Glucostrospeside
  • (3beta,5beta,16.beta.)-3-((6-deoxy-4-o-beta-d-glucopyranosyl-3-o-methyl-beta-d-galactopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide
  • 3beta-(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyloxy)-14,16beta-dihydroxy-5beta-card-20(22)-enolide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
712.83 g/molcalc.
Exact mass
712.367 Dacalc.
LogP (octanol/water)
-0.09calc.
Topological polar surface area
214.1 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
7calc.
Heavy atoms
50calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.92calc.
Formal charge
0calc.
Stereocentres
19calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCCCO6)CO5)CC4CCC23)CO1

O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCCCO6)CO5)CC4CCC23)CO1

7 rings, 37 atoms.

53 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Digitalin suppliers

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Digitalin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacology

Digitalin is a glycoside compound, extracted from the leaves and seeds of the common foxglove, with anti-arrhythmic property. Digitalin inhibits the enzymatic activity of the sodium-potassium ATPase pump in cardiac tissue, thereby increasing intracellular sodium and calcium levels and providing a positive inotropic effect. This results in increased force of myocardial muscle contraction. This agent also has a vagal effect on the parasympathetic nervous system, and as such slows the ventricular heart rate as well as helps eliminate fluid from body tissues.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Digitaline and all heterosides of Digitalis purpurea L., Ref no: 134, Annex ref: II/134
  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Digitalin is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Digitalin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Digitalin, based on the data on this page

What is Digitalin?

Digitalin is a cardenolide glycoside. It is functionally related to a gitoxigenin.

What is the CAS number of Digitalin?

The CAS registry number of Digitalin is 752-61-4.

What is the molecular formula and weight of Digitalin?

The molecular formula of Digitalin is C36H56O14 and its molar mass is 712.83 g/mol.

Is Digitalin hazardous?

No GHS hazard classification for Digitalin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Digitalin?

Digitalin is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Digitalin?

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What is the price of Digitalin?

Suppliers quote Digitalin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Digitalin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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