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Heterocyclic compounds

Trichothecin

Also known as 12,13-Epoxy-4-hydroxytrichothec-9-en-8-one crotonate, Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, crotonate, 12,13-Epoxy-4-((1-oxo-2-butenyl)oxy)trichothec-9-en-8-one

CAS 6379-69-7Formula C19H24O5Molar mass 332.40 g/molEC 636-317-1
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant
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Trichothecin chemical structure, C19H24O5, CAS 6379-69-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6379-69-7
Formula
C19H24O5
Molar mass
332.40 g/mol
EC number
636-317-1
HS code
293299
Category
Heterocyclic compounds

What is Trichothecin?

Plain description, key identifiers and synonyms

Trichothecin is a trichothecene mycototoxin isolated from the endophytic fungus Trichothecium sp. and it exhibits anti-cancer properties. It has a role as a mycotoxin, an antineoplastic agent, an antifungal agent, a protein synthesis inhibitor, an apoptosis inducer and a STAT3 inhibitor.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2R,7R,9R,11R,12S)-1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (Z)-but-2-enoate
CAS number
6379-69-7 CAS number cross-checked
EC number
636-317-1
Molecular formula
C19H24O5
UNII
2GB7AS83GT
InChIKey
LJWZOKOFCBPNAG-HULHSAFCSA-N
InChI
InChI=1S/C19H24O5/c1-5-6-16(21)24-14-8-15-19(10-22-19)18(14,4)17(3)9-12(20)11(2)7-13(17)23-15/h5-7,13-15H,8-10H2,1-4H3/b6-5-/t13-,14-,15-,17+,18-,19+/m1/s1
Canonical SMILES
CC=CC(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C21CO1
Isomeric SMILES
C/C=C\C(=O)O[C@@H]1C[C@@H]2[C@]3([C@]1([C@]4(CC(=O)C(=C[C@H]4O2)C)C)C)CO3

Synonyms

  • 12,13-Epoxy-4-hydroxytrichothec-9-en-8-one crotonate
  • Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, crotonate
  • 12,13-Epoxy-4-((1-oxo-2-butenyl)oxy)trichothec-9-en-8-one
  • Trichothecine
  • ((1S,2R,7R,9R,11R,12S)-1,2,5-trimethyl-4-oxospiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-11-yl) (Z)-but-2-enoate
  • [(1S,2R,7R,9R,11R,12S)-1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (Z)-but-2-enoate
  • (4Beta)-12,13-epoxy-4-(((2Z)-1-oxo-2-butenyl)oxy)trichothec-9-en-8-one
  • trichothec-9-en-8-one, 12,13-epoxy-4-((1-oxo-2-butenyl)oxy)-, (4 beta)-
  • 1',2',5'-trimethyl-4'-oxo-8'-oxaspiro(oxirane-2,12'-tricyclo(7.2.1.02,7)dodecan)-5'-en-11'-yl but-2-enoate
  • MEGxm0_000459
  • ACon0_000055
  • ACon1_000386
  • Trichothec-9-en-8-one, 12,13-epoxy-4-((1-oxo-2-butenyl)oxy)-, (4beta)-
  • (4.Beta.)-12,13-epoxy-4-(((2Z)-1-oxo-2-butenyl)oxy)trichothec-9-en-8-one
  • Trichothec-9-en-8-one, 12,13-epoxy-4-(((2Z)-1-oxo-2-butenyl)oxy)-, (4.beta.)-

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
332.40 g/molcalc.
Exact mass
332.1624 Dacalc.
LogP (octanol/water)
2.35calc.
Topological polar surface area
65.13 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
24calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
6calc.
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=CC2OC3CCC(C2C1)C31CO1

O=C1C=CC2OC3CCC(C2C1)C31CO1

4 rings, 15 atoms.

44 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

Hazard statements

  • H300 + H310 + H330Fatal if swallowed. Fatal in contact with skin. Fatal if inhaled.
  • H300Fatal if swallowed.
  • H310Fatal in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H330Fatal if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (25)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • 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.
  • 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.
  • 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.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • 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

Trichothecin suppliers

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Trichothecin 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

Roles

  • STAT3 inhibitor
  • antifungal agent
  • antimicrobial agent
  • antineoplastic agent
  • apoptosis inducer
  • enzyme inhibitor
  • eukaryotic metabolite
  • fungal metabolite
  • metabolite
  • mycotoxin
  • pathway inhibitor
  • pharmaceutical
  • poison
  • protein synthesis inhibitor
  • toxin

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 Trichothecin is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Trichothecin?

Trichothecin is a trichothecene mycototoxin isolated from the endophytic fungus Trichothecium sp. and it exhibits anti-cancer properties. It has a role as a mycotoxin, an antineoplastic agent, an antifungal agent, a protein synthesis inhibitor, an apoptosis inducer and a STAT3 inhibitor.

What is the CAS number of Trichothecin?

The CAS registry number of Trichothecin is 6379-69-7.

What is the molecular formula and weight of Trichothecin?

The molecular formula of Trichothecin is C19H24O5 and its molar mass is 332.40 g/mol.

What is Trichothecin used for?

Known uses and roles of Trichothecin include stat3 inhibitor, antifungal agent, antimicrobial agent, antineoplastic agent, apoptosis inducer and 10 more.

Is Trichothecin hazardous?

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

What is the HS code of Trichothecin?

Trichothecin is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Trichothecin?

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What is the price of Trichothecin?

Suppliers quote Trichothecin 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 Trichothecin

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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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