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Screening compounds

Ailanthone

Also known as Ailantone, (1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione, Picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1beta,11beta,12alpha)-

CAS 981-15-7Formula C20H24O7Molar mass 376.41 g/molEC 683-145-8
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 3 suppliers listed
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Ailanthone chemical structure, C20H24O7, CAS 981-15-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
981-15-7
Formula
C20H24O7
Molar mass
376.41 g/mol
EC number
683-145-8
HS code
293220
Category
Screening compounds

What is Ailanthone?

Plain description, key identifiers and synonyms

Ailanthone is a triterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
CAS number
981-15-7 CAS number cross-checked
EC number
683-145-8
Molecular formula
C20H24O7
MDL number
MFCD01729487
InChIKey
WBBVXGHSWZIJST-RLQYZCPESA-N
InChI
InChI=1S/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1
Canonical SMILES
C=C1C(O)C2(O)OCC34C(CC5C(C)=CC(=O)C(O)C5(C)C23)OC(=O)CC14
Isomeric SMILES
CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H](C(=C)[C@@H]4CC(=O)O3)O)(OC5)O)C)O

Synonyms

  • Ailantone
  • (1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
  • Picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1beta,11beta,12alpha)-
  • (1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo(9.8.0.01,7.04,19.013,18)nonadec-14-ene-9,16-dione
  • 13-Dehydrochaparrinone
  • 13,21-Didehydrochaparrinone
  • Picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1-beta,11-beta,12-alpha)-
  • Ailanthone, >=98% (HPLC)
  • inverted exclamation marke13-Dehydrochaparrinone
  • 1beta,11alpha,12alpha-Trihydroxy-11,20-epoxypicrasa-3,13(21)-diene-2,16-dione
  • (1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
  • (1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.0^{1,7}.0^{4,19}.0^{13,18}]nonadec-14-ene-9,16-dione
  • Picrasa-3,13(21)-dien-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1beta,11beta,12alpha)
  • Picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1beta,11beta,12beta)-
  • TIX

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
376.41 g/molcalc.
Exact mass
376.1522 Dacalc.
LogP (octanol/water)
0.09calc.
Topological polar surface area
113.3 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
0calc.
Heavy atoms
27calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
9calc.
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, C=C1CC2OCC34C(CC5C=CC(=O)CC5C23)OC(=O)CC14

C=C1CC2OCC34C(CC5C=CC(=O)CC5C23)OC(=O)CC14

5 rings, 22 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

  • H300Fatal if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • 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

Ailanthone suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 3 countries

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Ailanthone 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

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

Frequently asked questions

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

What is Ailanthone?

Ailanthone is a triterpenoid.

What is the CAS number of Ailanthone?

The CAS registry number of Ailanthone is 981-15-7.

What is the molecular formula and weight of Ailanthone?

The molecular formula of Ailanthone is C20H24O7 and its molar mass is 376.41 g/mol.

What is Ailanthone used for?

Known uses and roles of Ailanthone include cooling agents in flavors and fragrances, building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ailanthone hazardous?

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

What is the HS code of Ailanthone?

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

Where can I buy Ailanthone?

CompoundList lists 3 suppliers of Ailanthone in China, France and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ailanthone?

Suppliers quote Ailanthone 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

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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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