CompoundList
Sign in
Heterocyclic building blocks

Isotrichodermin

Also known as 12,13-Epoxy-trichothec-9-ene-3-ol acetate, [(2R,7R,9R,10R)-1,2,5-Trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate, 12,13-Epoxytrichothec-9-en-3-yl acetate

CAS 91423-90-4Formula C17H24O4Molar mass 292.38 g/mol
Get quotes Safety data
Isotrichodermin chemical structure, C17H24O4, CAS 91423-90-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
91423-90-4
Formula
C17H24O4
Molar mass
292.38 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Isotrichodermin?

Plain description, key identifiers and synonyms

Isotrichodermin is a chemical substance with the molecular formula C17H24O4 and a molar mass of 292.38 g/mol. Its CAS registry number is 91423-90-4. The IUPAC name is [(2R,7R,9R,10R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,7R,9R,10R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
CAS number
91423-90-4 CAS number cross-checked
Molecular formula
C17H24O4
InChIKey
OZXJPPYWZVBMGW-DJXIOKRSSA-N
InChI
InChI=1S/C17H24O4/c1-10-5-6-15(3)13(7-10)21-14-12(20-11(2)18)8-16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,16?,17?/m1/s1
Canonical SMILES
CC(=O)OC1CC2(C)C3(C)CCC(C)=CC3OC1C21CO1
Isomeric SMILES
CC1=C[C@@H]2[C@](CC1)(C3(C[C@H]([C@H](C34CO4)O2)OC(=O)C)C)C

Synonyms

  • 12,13-Epoxy-trichothec-9-ene-3-ol acetate
  • [(2R,7R,9R,10R)-1,2,5-Trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
  • 12,13-Epoxytrichothec-9-en-3-yl acetate
  • (12xi)-12,13-Epoxytrichothec-9-en-3alpha-yl acetate
  • Tichothec-9-en-3-ol, 12,13-epoxy-, acetate, (3alpha)-

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
292.38 g/molcalc.
Exact mass
292.1675 Dacalc.
LogP (octanol/water)
2.61calc.
Topological polar surface area
48.06 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
21calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.82calc.
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, C1=CC2OC3CCC(C2CC1)C31CO1

C1=CC2OC3CCC(C2CC1)C31CO1

4 rings, 14 atoms.

143 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.

Isotrichodermin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Isotrichodermin can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Isotrichodermin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

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

Frequently asked questions

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

What is Isotrichodermin?

Isotrichodermin is a chemical substance with the molecular formula C17H24O4 and a molar mass of 292.38 g/mol. Its CAS registry number is 91423-90-4. The IUPAC name is [(2R,7R,9R,10R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate.

What is the CAS number of Isotrichodermin?

The CAS registry number of Isotrichodermin is 91423-90-4.

What is the molecular formula and weight of Isotrichodermin?

The molecular formula of Isotrichodermin is C17H24O4 and its molar mass is 292.38 g/mol.

What is Isotrichodermin used for?

Known uses and roles of Isotrichodermin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Isotrichodermin hazardous?

No GHS hazard classification for Isotrichodermin 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 Isotrichodermin?

Isotrichodermin 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 Isotrichodermin?

Post a free request on CompoundList and suppliers of Isotrichodermin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Isotrichodermin?

Suppliers quote Isotrichodermin 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 Isotrichodermin

Get quotes for Isotrichodermin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Isotrichodermin
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Isotrichodermin with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/isotrichodermin-91423-90-4" title="Isotrichodermin structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Heterocyclic building blocks or HS code 293299

Price on request
Free quotes, contact stays private
Get quotes