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Methyldigoxin chemical structure, C42H66O14, CAS 30685-43-9
2D chemical structure

Key facts

What buyers check first

CAS number
30685-43-9
Formula
C42H66O14
Molar mass
794.98 g/mol
EC number
250-292-0
HS code
293220
Category
Steroids and sterols

What is Methyldigoxin?

Plain description, key identifiers and synonyms

Metildigoxin is a cardenolide glycoside.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-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
30685-43-9 CAS number cross-checked
EC number
250-292-0
Molecular formula
C42H66O14
UNII
I7GG1YUC5V
InChIKey
IYJMSDVSVHDVGT-PEQKVOOWSA-N
InChI
InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1
Canonical SMILES
COC1C(O)CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)OC1C
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]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)OC

Synonyms

  • metildigoxin
  • Metildigoxina
  • Metildigoxine
  • Metildigoxinum
  • Digoxin, 4'''-O-methyl-
  • Methyldigoxin, beta
  • metildigossina
  • 4'''-beta-Methyldigoxin
  • Medigoxin
  • Lanitop
  • Lanirapid
  • beta-Methyldigoxin
  • 4'''-O-Methyldigoxin
  • b-Methyl Digoxin
  • Metildigoxin (INN)
  • Betamethyl digoxin
  • 4'''-Methyldigoxin
  • Medigossina
  • Medigoxina
  • beta-Metildigoxina
  • ?-Methyldigoxin
  • ?-Methyl Digoxin
  • Medigoxin (BAN)

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
794.98 g/molcalc.
Exact mass
794.4453 Dacalc.
LogP (octanol/water)
2.87calc.
Topological polar surface area
192.1 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
8calc.
Heavy atoms
56calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.93calc.
Formal charge
0calc.
Stereocentres
21calc.
Lipinski rule of five
Fails (2 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(OC7CCCCO7)CO6)CO5)CC4CCC23)CO1

O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCC(OC7CCCCO7)CO6)CO5)CC4CCC23)CO1

8 rings, 44 atoms.

55 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)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H300Fatal if swallowed.
  • H301 + H331Toxic if swallowed. Toxic if inhaled.
  • H301Toxic if swallowed.
  • H319Causes serious eye irritation.
  • H330Fatal if inhaled.
  • H331Toxic if inhaled.
  • H372Causes damage to organs through prolonged or repeated exposure.
  • H373May cause damage to organs through prolonged or repeated exposure.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (21)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing 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.
  • P273Avoid release to the environment.
  • 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

Methyldigoxin suppliers

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All 4 suppliers
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Where suppliers are based

4 suppliers in 3 countries

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

Frequently asked questions

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

What is Methyldigoxin?

Metildigoxin is a cardenolide glycoside.

What is the CAS number of Methyldigoxin?

The CAS registry number of Methyldigoxin is 30685-43-9.

What is the molecular formula and weight of Methyldigoxin?

The molecular formula of Methyldigoxin is C42H66O14 and its molar mass is 794.98 g/mol.

Is Methyldigoxin hazardous?

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

What is the HS code of Methyldigoxin?

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

Where can I buy Methyldigoxin?

CompoundList lists 4 suppliers of Methyldigoxin in Poland, China and Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Methyldigoxin?

Suppliers quote Methyldigoxin 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 Methyldigoxin

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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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