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Screening compounds

Flagranone A

Also known as [6-[(2E,4E,6E)-1-acetyloxy-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate, (6-((2E,4E,6E)-1-acetyloxy-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl)-2,5-dioxo-7-oxabicyclo(4.1.0)hept-3-en-3-yl)methyl acetate

CAS 255062-49-8Formula C26H32O7Molar mass 456.54 g/mol
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Flagranone A chemical structure, C26H32O7, CAS 255062-49-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
255062-49-8
Formula
C26H32O7
Molar mass
456.54 g/mol
HS code
291539
Category
Screening compounds

What is Flagranone A?

Plain description, key identifiers and synonyms

Flagranone A is a sesquiterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[6-[(2E,4E,6E)-1-acetyloxy-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate
CAS number
255062-49-8
Molecular formula
C26H32O7
InChIKey
PJRVHWMZLRRRMF-ZQEGAJDDSA-N
InChI
InChI=1S/C26H32O7/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-23(32-20(6)28)26-22(29)14-21(15-31-19(5)27)24(30)25(26)33-26/h8-9,11-14,23,25H,7,10,15H2,1-6H3/b12-8+,17-11+,18-13+
Canonical SMILES
CC(=O)OCC1=CC(=O)C2(C(C=C(C)C=CC=C(C)CCC=C(C)C)OC(C)=O)OC2C1=O
Isomeric SMILES
CC(=CCC/C(=C/C=C/C(=C/C(C12C(O1)C(=O)C(=CC2=O)COC(=O)C)OC(=O)C)/C)/C)C

Synonyms

  • [6-[(2E,4E,6E)-1-acetyloxy-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate
  • (6-((2E,4E,6E)-1-acetyloxy-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl)-2,5-dioxo-7-oxabicyclo(4.1.0)hept-3-en-3-yl)methyl acetate

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
456.54 g/molcalc.
Exact mass
456.2148 Dacalc.
LogP (octanol/water)
3.89calc.
Topological polar surface area
99.27 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
10calc.
Heavy atoms
33calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
3calc.
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=CC(=O)C2OC12

O=C1C=CC(=O)C2OC12

2 rings, 9 atoms, the 2,3-Epoxy-1,4-benzoquinone ring system.

18 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.

Flagranone A suppliers

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Flagranone A 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 Flagranone A is traded under.

HS 2915.39Indicative HS code

Esters of acetic acid, other

World exports in 2024
$2.03B
+7.9% vs 2023, imports $1.95B
2019 to 2024
Top exporters
  1. China58.0%
  2. United States7.3%
  3. Germany6.5%
Top importers
  1. Singapore15.6%
  2. South Korea7.2%
  3. Indonesia6.9%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Flagranone A is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Flagranone A, based on the data on this page

What is Flagranone A?

Flagranone A is a sesquiterpenoid.

What is the CAS number of Flagranone A?

The CAS registry number of Flagranone A is 255062-49-8.

What is the molecular formula and weight of Flagranone A?

The molecular formula of Flagranone A is C26H32O7 and its molar mass is 456.54 g/mol.

What is Flagranone A used for?

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

Is Flagranone A hazardous?

No GHS hazard classification for Flagranone A 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 Flagranone A?

Flagranone A is usually classified under HS code 291539 (Esters of acetic acid, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Flagranone A?

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

What is the price of Flagranone A?

Suppliers quote Flagranone A 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 Flagranone A

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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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