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Screening compounds

Dehydroailanthinone

Also known as Ailanthinone, dehydro-, Picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-(2-methyl-1-oxobutoxy)-, (1beta,11beta,12alpha,15beta)-

CAS 53683-70-8Formula C25H32O9Molar mass 476.52 g/mol
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Dehydroailanthinone chemical structure, C25H32O9, CAS 53683-70-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
53683-70-8
Formula
C25H32O9
Molar mass
476.52 g/mol
HS code
293220
Category
Screening compounds

What is Dehydroailanthinone?

Plain description, key identifiers and synonyms

Dehydroailanthinone is a chemical substance with the molecular formula C25H32O9 and a molar mass of 476.52 g/mol. Its CAS registry number is 53683-70-8. The IUPAC name is [(4S,5R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-methylbutanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(4S,5R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-methylbutanoate
CAS number
53683-70-8
Molecular formula
C25H32O9
InChIKey
JJCWYVBKJXKVFF-QCZFODPJSA-N
InChI
InChI=1S/C25H32O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,13,15-19,22,27-28,31H,4,6,8-9H2,1-3,5H3/t10?,13-,15+,16+,17+,18+,19+,22+,23+,24?,25+/m0/s1
Canonical SMILES
C=C1C(O)C2(O)OCC34C(CC5C(C)=CC(=O)C(O)C5(C)C23)OC(=O)C(OC(=O)C(C)CC)C14
Isomeric SMILES
CCC(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@H]([C@@]3([C@H]4C2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O

Synonyms

  • Ailanthinone, dehydro-
  • Picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-(2-methyl-1-oxobutoxy)-, (1beta,11beta,12alpha,15beta)-

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
476.52 g/molcalc.
Exact mass
476.2046 Dacalc.
LogP (octanol/water)
0.65calc.
Topological polar surface area
139.6 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
3calc.
Heavy atoms
34calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.72calc.
Formal charge
0calc.
Stereocentres
11calc.
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

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.

Dehydroailanthinone suppliers

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

Frequently asked questions

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

What is Dehydroailanthinone?

Dehydroailanthinone is a chemical substance with the molecular formula C25H32O9 and a molar mass of 476.52 g/mol. Its CAS registry number is 53683-70-8.

What is the CAS number of Dehydroailanthinone?

The CAS registry number of Dehydroailanthinone is 53683-70-8.

What is the molecular formula and weight of Dehydroailanthinone?

The molecular formula of Dehydroailanthinone is C25H32O9 and its molar mass is 476.52 g/mol.

What is Dehydroailanthinone used for?

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

Is Dehydroailanthinone hazardous?

No GHS hazard classification for Dehydroailanthinone 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 Dehydroailanthinone?

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

Where can I buy Dehydroailanthinone?

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

What is the price of Dehydroailanthinone?

Suppliers quote Dehydroailanthinone 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 Dehydroailanthinone

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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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