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Impurities and reference standards

Digoxoside

Also known as Digoxigenin tetrakisdigitoxoside, Digoxigenin Tetradigitoxoside, Digoxin EP Impurity K

CAS 31539-05-6Formula C47H74O17Molar mass 911.09 g/molEC 250-687-8
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard 1 supplier listed
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Digoxoside chemical structure, C47H74O17, CAS 31539-05-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
31539-05-6
Formula
C47H74O17
Molar mass
911.09 g/mol
EC number
250-687-8
HS code
293220
Category
Impurities and reference standards

What is Digoxoside?

Plain description, key identifiers and synonyms

Digoxoside is a chemical substance with the molecular formula C47H74O17 and a molar mass of 911.09 g/mol. Its CAS registry number is 31539-05-6. The IUPAC name is 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-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
31539-05-6
EC number
250-687-8
Molecular formula
C47H74O17
UNII
5EJ5Y5DB53
InChIKey
RDWJFVWFSYHOTB-YQIAHCFOSA-N
InChI
InChI=1S/C47H74O17/c1-21-41(54)31(48)16-38(57-21)62-43-23(3)59-40(18-33(43)50)64-44-24(4)60-39(19-34(44)51)63-42-22(2)58-37(17-32(42)49)61-27-9-11-45(5)26(14-27)7-8-29-30(45)15-35(52)46(6)28(10-12-47(29,46)55)25-13-36(53)56-20-25/h13,21-24,26-35,37-44,48-52,54-55H,7-12,14-20H2,1-6H3/t21-,22-,23-,24-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+/m1/s1
Canonical SMILES
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(OC5CCC6(C)C(CCC7C6CC(O)C6(C)C(C8=CC(=O)OC8)CCC76O)C5)OC4C)OC3C)OC2C)CC(O)C1O
Isomeric SMILES
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@@H]4[C@H](O[C@H](C[C@@H]4O)O[C@H]5CC[C@]6([C@@H](C5)CC[C@@H]7[C@@H]6C[C@H]([C@]8([C@@]7(CC[C@@H]8C9=CC(=O)OC9)O)C)O)C)C)C)C)O)O

Synonyms

  • Digoxigenin tetrakisdigitoxoside
  • Digoxigenin Tetradigitoxoside
  • Digoxin EP Impurity K
  • Digoxin EP Impurity K, <br>Digoxigenin tetrakisdigitoxoside

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
911.09 g/molcalc.
Exact mass
910.4926 Dacalc.
LogP (octanol/water)
2.1calc.
Topological polar surface area
241.8 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
17calc.
Rotatable bonds
9calc.
Heavy atoms
64calc.
Rings
9calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.94calc.
Formal charge
0calc.
Stereocentres
25calc.
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(OC6CCC(OC7CCC(OC8CCCCO8)CO7)CO6)CO5)CC4CCC23)CO1

O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCC(OC7CCC(OC8CCCCO8)CO7)CO6)CO5)CC4CCC23)CO1

9 rings, 51 atoms.

13 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H300Fatal if swallowed.
  • H319Causes serious eye irritation.
  • H330Fatal if inhaled.
  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (19)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P319Get medical help if you feel unwell.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P337 + P317If eye irritation persists: Get medical help.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Digoxoside suppliers

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Where suppliers are based

1 supplier in 1 country

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Digoxoside 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 Digoxoside 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 Digoxoside is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Digoxoside?

Digoxoside is a chemical substance with the molecular formula C47H74O17 and a molar mass of 911.09 g/mol. Its CAS registry number is 31539-05-6.

What is the CAS number of Digoxoside?

The CAS registry number of Digoxoside is 31539-05-6.

What is the molecular formula and weight of Digoxoside?

The molecular formula of Digoxoside is C47H74O17 and its molar mass is 911.09 g/mol.

Is Digoxoside hazardous?

Digoxoside carries the GHS signal word "Danger". Main hazards: fatal if swallowed, causes serious eye irritation, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Digoxoside?

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

Where can I buy Digoxoside?

CompoundList lists 1 supplier of Digoxoside in Poland. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Digoxoside?

Suppliers quote Digoxoside 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 Digoxoside

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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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