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Screening compounds

Pukalide

Also known as methyl (2R,4S,6R,12S)-4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo(12.2.1.16,9.02,4)octadeca-1(16),9(18),14-triene-15-carboxylate, methyl (2R,4S,6R,12S)-4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-triene-15-carboxylate, methyl (2S,4R,6S,12R)-4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo(12.2.1.16,9.02,4)octadeca-1(16),9(18),14-triene-15-carboxylate

CAS 58772-81-9Formula C21H24O6Molar mass 372.42 g/mol
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Pukalide chemical structure, C21H24O6, CAS 58772-81-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
58772-81-9
Formula
C21H24O6
Molar mass
372.42 g/mol
HS code
293220
Category
Screening compounds

What is Pukalide?

Plain description, key identifiers and synonyms

Pukalide has been reported in Sinularia polydactyla, Leptogorgia virgulata, and Tritonia tetraquetra.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (2R,4S,6R,12S)-4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-triene-15-carboxylate
CAS number
58772-81-9
Molecular formula
C21H24O6
InChIKey
PPHCYWKQJLNLQQ-TVVYHTAVSA-N
InChI
InChI=1S/C21H24O6/c1-11(2)12-5-6-13-7-14(25-19(13)22)10-21(3)18(27-21)17-9-15(20(23)24-4)16(8-12)26-17/h7,9,12,14,18H,1,5-6,8,10H2,2-4H3/t12-,14-,18-,21-/m0/s1
Canonical SMILES
C=C(C)C1CCC2=CC(CC3(C)OC3C3=CC(C(=O)OC)=C(C1)O3)OC2=O
Isomeric SMILES
CC(=C)[C@H]1CCC2=C[C@@H](C[C@]3([C@@H](O3)C4=CC(=C(C1)O4)C(=O)OC)C)OC2=O

Synonyms

  • methyl (2R,4S,6R,12S)-4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo(12.2.1.16,9.02,4)octadeca-1(16),9(18),14-triene-15-carboxylate
  • methyl (2R,4S,6R,12S)-4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-triene-15-carboxylate
  • methyl (2S,4R,6S,12R)-4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo(12.2.1.16,9.02,4)octadeca-1(16),9(18),14-triene-15-carboxylate

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
372.42 g/molcalc.
Exact mass
372.1573 Dacalc.
LogP (octanol/water)
3.1calc.
Topological polar surface area
74.36 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
27calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C1OC2C=C1CCCCc1ccc(o1)C1OC1C2

O=C1OC2C=C1CCCCc1ccc(o1)C1OC1C2

4 rings, 19 atoms.

4 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.

Pukalide suppliers

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

Frequently asked questions

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

What is Pukalide?

Pukalide has been reported in Sinularia polydactyla, Leptogorgia virgulata, and Tritonia tetraquetra.

What is the CAS number of Pukalide?

The CAS registry number of Pukalide is 58772-81-9.

What is the molecular formula and weight of Pukalide?

The molecular formula of Pukalide is C21H24O6 and its molar mass is 372.42 g/mol.

What is Pukalide used for?

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

Is Pukalide hazardous?

No GHS hazard classification for Pukalide 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 Pukalide?

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

Where can I buy Pukalide?

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

What is the price of Pukalide?

Suppliers quote Pukalide 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 Pukalide

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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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