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Heterocyclic building blocks

Estafietin

Also known as (1S,2S,6S,10R,12R,14S)-14-methyl-5,9-dimethylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one, (1S,2S,6S,10R,12R,14S)-14-methyl-5,9-dimethylidene-3,13-dioxatetracyclo(8.4.0.02,6.012,14)tetradecan-4-one, Estafiatin

CAS 10180-89-9Formula C15H18O3Molar mass 246.31 g/mol
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Estafietin chemical structure, C15H18O3, CAS 10180-89-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
10180-89-9
Formula
C15H18O3
Molar mass
246.31 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Estafietin?

Plain description, key identifiers and synonyms

Estafiatin has been reported in Achillea millefolium var. borealis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2S,6S,10R,12R,14S)-14-methyl-5,9-dimethylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one
CAS number
10180-89-9
Molecular formula
C15H18O3
InChIKey
MFXYIKGJSJSAJT-MRWSCNBVSA-N
InChI
InChI=1S/C15H18O3/c1-7-4-5-9-8(2)14(16)17-13(9)12-10(7)6-11-15(12,3)18-11/h9-13H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13-,15+/m0/s1
Canonical SMILES
C=C1C(=O)OC2C1CCC(=C)C1CC3OC3(C)C12
Isomeric SMILES
C[C@]12[C@H](O1)C[C@@H]3[C@H]2[C@@H]4[C@@H](CCC3=C)C(=C)C(=O)O4

Synonyms

  • (1S,2S,6S,10R,12R,14S)-14-methyl-5,9-dimethylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one
  • (1S,2S,6S,10R,12R,14S)-14-methyl-5,9-dimethylidene-3,13-dioxatetracyclo(8.4.0.02,6.012,14)tetradecan-4-one
  • Estafiatin
  • Estafiatine

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
246.31 g/molcalc.
Exact mass
246.1256 Dacalc.
LogP (octanol/water)
2.23calc.
Topological polar surface area
38.83 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
18calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1C(=O)OC2C1CCC(=C)C1CC3OC3C12

C=C1C(=O)OC2C1CCC(=C)C1CC3OC3C12

4 rings, 17 atoms.

3 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.

Estafietin suppliers

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

Frequently asked questions

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

What is Estafietin?

Estafiatin has been reported in Achillea millefolium var. borealis.

What is the CAS number of Estafietin?

The CAS registry number of Estafietin is 10180-89-9.

What is the molecular formula and weight of Estafietin?

The molecular formula of Estafietin is C15H18O3 and its molar mass is 246.31 g/mol.

What is Estafietin used for?

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

Is Estafietin hazardous?

No GHS hazard classification for Estafietin 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 Estafietin?

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

Where can I buy Estafietin?

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

What is the price of Estafietin?

Suppliers quote Estafietin 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 Estafietin

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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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