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Impurities and reference standards

Diginatigenin

Also known as 3beta,12beta,14,16beta-tetrahydroxy-5beta-card-20(22)-enolide, Card-20(22)-enolide, 3,12,14,16-tetrahydroxy-, (3beta,5beta,12beta,16beta)-, Card-20(22)-enolide, 3,12,14,16-tetrahydroxy-, (3beta,5beta,12beta,16.beta.)-

CAS 559-57-9Formula C23H34O6Molar mass 406.52 g/mol
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Diginatigenin chemical structure, C23H34O6, CAS 559-57-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
559-57-9
Formula
C23H34O6
Molar mass
406.52 g/mol
HS code
293220
Category
Impurities and reference standards

What is Diginatigenin?

Plain description, key identifiers and synonyms

Diginatigenin is a 16beta-hydroxy steroid, a 3beta-hydroxy steroid, a 12beta-hydroxy steroid and a 14beta-hydroxy steroid. It derives from a hydride of a 5beta-cardanolide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(3S,5R,8R,9S,10S,12R,13S,14S,16S,17R)-3,12,14,16-tetrahydroxy-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
559-57-9 CAS number cross-checked
Molecular formula
C23H34O6
UNII
BL7J6ZZ392
InChIKey
DICIZKAHXOVVHI-BOYBCVSISA-N
InChI
InChI=1S/C23H34O6/c1-21-6-5-14(24)8-13(21)3-4-15-16(21)9-18(26)22(2)20(12-7-19(27)29-11-12)17(25)10-23(15,22)28/h7,13-18,20,24-26,28H,3-6,8-11H2,1-2H3/t13-,14+,15-,16+,17+,18-,20+,21+,22-,23+/m1/s1
Canonical SMILES
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)C(O)CC12O
Isomeric SMILES
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)O)O

Synonyms

  • 3beta,12beta,14,16beta-tetrahydroxy-5beta-card-20(22)-enolide
  • Card-20(22)-enolide, 3,12,14,16-tetrahydroxy-, (3beta,5beta,12beta,16beta)-
  • Card-20(22)-enolide, 3,12,14,16-tetrahydroxy-, (3beta,5beta,12beta,16.beta.)-
  • Digoxin Impurity 13 (Diginatigenin)
  • 4-((3S,5R,8R,9S,10S,12R,13S,14S,16S,17R)-3,12,14,16-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one

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
406.52 g/molcalc.
Exact mass
406.2355 Dacalc.
LogP (octanol/water)
1.55calc.
Topological polar surface area
107.2 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
29calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.87calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Passes (0 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(C2CCC3C2CCC2C4CCCCC4CCC23)CO1

O=C1C=C(C2CCC3C2CCC2C4CCCCC4CCC23)CO1

5 rings, 23 atoms.

126 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.

Diginatigenin suppliers

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Diginatigenin 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Diginatigenin?

Diginatigenin is a 16beta-hydroxy steroid, a 3beta-hydroxy steroid, a 12beta-hydroxy steroid and a 14beta-hydroxy steroid. It derives from a hydride of a 5beta-cardanolide.

What is the CAS number of Diginatigenin?

The CAS registry number of Diginatigenin is 559-57-9.

What is the molecular formula and weight of Diginatigenin?

The molecular formula of Diginatigenin is C23H34O6 and its molar mass is 406.52 g/mol.

Is Diginatigenin hazardous?

No GHS hazard classification for Diginatigenin 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 Diginatigenin?

Diginatigenin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Diginatigenin?

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What is the price of Diginatigenin?

Suppliers quote Diginatigenin 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 Diginatigenin

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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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