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Screening compounds

17-Chloroakaeolide

CAS 1471990-63-2Formula C22H31ClO6Molar mass 426.94 g/mol
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17-Chloroakaeolide chemical structure, C22H31ClO6, CAS 1471990-63-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1471990-63-2
Formula
C22H31ClO6
Molar mass
426.94 g/mol
HS code
293220
Category
Screening compounds

What is 17-Chloroakaeolide?

Plain description, key identifiers and synonyms

17-Chloroakaeolide is a chemical substance with the molecular formula C22H31ClO6 and a molar mass of 426.94 g/mol. Its CAS registry number is 1471990-63-2. The IUPAC name is (1R,4S,6S,7R,8R,9E,13R,17R)-1-chloro-8-hydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-9-ene-11,15,16-trione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,4S,6S,7R,8R,9E,13R,17R)-1-chloro-8-hydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-9-ene-11,15,16-trione
CAS number
1471990-63-2
Molecular formula
C22H31ClO6
InChIKey
VIEDRULPBADJNE-PFZICJEKSA-N
InChI
InChI=1S/C22H31ClO6/c1-5-6-14-17-10-15(24)12(2)9-16(25)18-13(3)11-21(4,29-18)7-8-22(23,19(14)26)20(27)28-17/h9,13-14,16-18,25H,5-8,10-11H2,1-4H3/b12-9+/t13-,14+,16+,17+,18+,21-,22+/m0/s1
Canonical SMILES
CCCC1C(=O)C2(Cl)CCC3(C)CC(C)C(O3)C(O)C=C(C)C(=O)CC1OC2=O
Isomeric SMILES
CCC[C@@H]1[C@H]2CC(=O)/C(=C/[C@H]([C@H]3[C@H](C[C@@](O3)(CC[C@@](C1=O)(C(=O)O2)Cl)C)C)O)/C

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
426.94 g/molcalc.
Exact mass
426.1809 Dacalc.
LogP (octanol/water)
3.12calc.
Topological polar surface area
89.9 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
7calc.
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=CCC2CCC(CCC3C(=O)CC(C1)OC3=O)O2

O=C1C=CCC2CCC(CCC3C(=O)CC(C1)OC3=O)O2

4 rings, 21 atoms.

1 other chemical 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.

17-Chloroakaeolide suppliers

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17-Chloroakaeolide 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 17-Chloroakaeolide 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 17-Chloroakaeolide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 17-Chloroakaeolide, based on the data on this page

What is 17-Chloroakaeolide?

17-Chloroakaeolide is a chemical substance with the molecular formula C22H31ClO6 and a molar mass of 426.94 g/mol. Its CAS registry number is 1471990-63-2. The IUPAC name is (1R,4S,6S,7R,8R,9E,13R,17R)-1-chloro-8-hydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-9-ene-11,15,16-trione.

What is the CAS number of 17-Chloroakaeolide?

The CAS registry number of 17-Chloroakaeolide is 1471990-63-2.

What is the molecular formula and weight of 17-Chloroakaeolide?

The molecular formula of 17-Chloroakaeolide is C22H31ClO6 and its molar mass is 426.94 g/mol.

What is 17-Chloroakaeolide used for?

Known uses and roles of 17-Chloroakaeolide include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 17-Chloroakaeolide hazardous?

No GHS hazard classification for 17-Chloroakaeolide 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 17-Chloroakaeolide?

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

Where can I buy 17-Chloroakaeolide?

Post a free request on CompoundList and suppliers of 17-Chloroakaeolide will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 17-Chloroakaeolide?

Suppliers quote 17-Chloroakaeolide 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 17-Chloroakaeolide

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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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