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Impurities and reference standards

Podophyllotoxone

Also known as (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione, (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-(2)benzofuro(5,6-f)(1,3)benzodioxole-5,8-dione, (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro(5,6-f)(1,3)benzodioxole-5,8-dione

CAS 477-49-6Formula C22H20O8Molar mass 412.39 g/molEC 812-898-9
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 1 supplier listed
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Podophyllotoxone chemical structure, C22H20O8, CAS 477-49-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
477-49-6
Formula
C22H20O8
Molar mass
412.39 g/mol
EC number
812-898-9
HS code
293220
Category
Impurities and reference standards

What is Podophyllotoxone?

Plain description, key identifiers and synonyms

Podophyllotoxone is a lactone and a lignan.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione
CAS number
477-49-6 CAS number cross-checked
EC number
812-898-9
Molecular formula
C22H20O8
UNII
E9P4BUW29S
InChIKey
ISCQYPPCSYRZOT-BKTGTZMESA-N
InChI
InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19-/m0/s1
Canonical SMILES
COc1cc(C2c3cc4c(cc3C(=O)C3COC(=O)C32)OCO4)cc(OC)c1OC
Isomeric SMILES
COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)C(=O)C4=CC5=C(C=C24)OCO5

Synonyms

  • (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione
  • (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-(2)benzofuro(5,6-f)(1,3)benzodioxole-5,8-dione
  • (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro(5,6-f)(1,3)benzodioxole-5,8-dione
  • (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxole-5,8-dione
  • Podophyllotoxinone
  • (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxole-5,8-dione
  • (5aR,8aR,9R)-5a,6,8a,9-Tetrahydro-9-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxole-5,8-dione
  • 9-(3,4,5-Trimethoxyphenyl)-5a,6,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxole-5,8-dione
  • Podophyllotoxin EP Impurity C (Podophyllotoxone)
  • (11R,15R,16R)-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-triene-10,14-dione
  • (5aR,8aR,9R)-9-(3,4,5-Trimethoxyphenyl)-5a,6,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxole-5,8-dione
  • (5Ar,8ar,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-dione
  • 5a,6,8a,9-Tetrahydro-9-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxole-5,8-dione, (5aR,8aR,9R)-
  • Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxole-5,8-dione, 5a,6,8a,9-tetrahydro-9-(3,4,5-trimethoxyphenyl)-, (5aR,8aR,9R)-

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
412.39 g/molcalc.
Exact mass
412.1158 Dacalc.
LogP (octanol/water)
2.56calc.
Topological polar surface area
89.52 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
30calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
3calc.
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=C1c2cc3c(cc2C(c2ccccc2)C2C(=O)OCC12)OCO3

O=C1c2cc3c(cc2C(c2ccccc2)C2C(=O)OCC12)OCO3

5 rings, 24 atoms.

6 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)

Hazard statements

  • H301Toxic if swallowed.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (20)
  • 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.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • 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.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • 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

Podophyllotoxone suppliers

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Where suppliers are based

1 supplier in 1 country

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

Frequently asked questions

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

What is Podophyllotoxone?

Podophyllotoxone is a lactone and a lignan.

What is the CAS number of Podophyllotoxone?

The CAS registry number of Podophyllotoxone is 477-49-6.

What is the molecular formula and weight of Podophyllotoxone?

The molecular formula of Podophyllotoxone is C22H20O8 and its molar mass is 412.39 g/mol.

Is Podophyllotoxone hazardous?

Podophyllotoxone carries the GHS signal word "Danger". Main hazards: toxic if swallowed, harmful in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Podophyllotoxone?

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

Where can I buy Podophyllotoxone?

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

What is the price of Podophyllotoxone?

Suppliers quote Podophyllotoxone 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 Podophyllotoxone

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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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