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Screening compounds

Chaparrinone

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

CAS 22611-34-3Formula C20H26O7Molar mass 378.42 g/mol
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Chaparrinone chemical structure, C20H26O7, CAS 22611-34-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
22611-34-3
Formula
C20H26O7
Molar mass
378.42 g/mol
HS code
293220
Category
Screening compounds

What is Chaparrinone?

Plain description, key identifiers and synonyms

Chaparrinone is a triterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
CAS number
22611-34-3
Molecular formula
C20H26O7
InChIKey
VLYMLZRDCSQUQF-RZUZYEBMSA-N
InChI
InChI=1S/C20H26O7/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/h4,9-11,13,15-17,23-25H,5-7H2,1-3H3/t9-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1
Canonical SMILES
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)CC3C(C)C(O)C4(O)OCC13C42
Isomeric SMILES
C[C@@H]1[C@@H]2CC(=O)O[C@H]3[C@@]24CO[C@@]([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O

Synonyms

  • (1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
  • (1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo(9.8.0.01,7.04,19.013,18)nonadec-14-ene-9,16-dione
  • Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1beta,11beta,12alpha)-
  • (-)-Chaparrinone
  • Chaparrinone b810280k028
  • (1-beta,11-beta,12-alpha)-11,20-Epoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione
  • trihydroxy(trimethyl)[?]dione
  • Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1-beta,11-beta,12-alpha)-
  • Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-[(2R)-2-methyl-1-oxobutoxy]-,[1beta,11beta,12alpha]

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
378.42 g/molcalc.
Exact mass
378.1679 Dacalc.
LogP (octanol/water)
0.17calc.
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
0.8calc.
Formal charge
0calc.
Stereocentres
10calc.
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=CC2CC3OC(=O)CC4CCC5OCC43C5C2C1

O=C1C=CC2CC3OC(=O)CC4CCC5OCC43C5C2C1

5 rings, 21 atoms.

23 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.

Chaparrinone suppliers

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Chaparrinone 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

Pharmacology

Chaparrinone is a quassinoid phytochemical isolated from Ailanthus integrifolia sp. calycina and other plant species with potential antineoplastic activity. Chaparrinone inhibits protein synthesis, has antimalarial properties, and is cytotoxic to some tumor cells. (NCI04)

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

Frequently asked questions

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

What is Chaparrinone?

Chaparrinone is a triterpenoid.

What is the CAS number of Chaparrinone?

The CAS registry number of Chaparrinone is 22611-34-3.

What is the molecular formula and weight of Chaparrinone?

The molecular formula of Chaparrinone is C20H26O7 and its molar mass is 378.42 g/mol.

What is Chaparrinone used for?

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

Is Chaparrinone hazardous?

No GHS hazard classification for Chaparrinone 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 Chaparrinone?

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

Where can I buy Chaparrinone?

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

What is the price of Chaparrinone?

Suppliers quote Chaparrinone 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 Chaparrinone

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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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