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Screening compounds

Fercomin

Also known as [(1R,3aR,4R,8aS)-8a-hydroxy-3a,6-dimethyl-3-oxo-1-propan-2-yl-2,4,7,8-tetrahydro-1H-azulen-4-yl] 4-methoxybenzoate, 4-Methoxybenzoic acid (1R)-1,2,3,3a,4,7,8,8a-octahydro-8abeta-hydroxy-3abeta,6-dimethyl-1beta-(1-methylethyl)

CAS 104758-20-5Formula C23H30O5Molar mass 386.49 g/mol
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Fercomin chemical structure, C23H30O5, CAS 104758-20-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
104758-20-5
Formula
C23H30O5
Molar mass
386.49 g/mol
HS code
291899
Category
Screening compounds

What is Fercomin?

Plain description, key identifiers and synonyms

Fercomin has been reported in Ferula jaeschkeana, Ferula communis, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,3aR,4R,8aS)-8a-hydroxy-3a,6-dimethyl-3-oxo-1-propan-2-yl-2,4,7,8-tetrahydro-1H-azulen-4-yl] 4-methoxybenzoate
CAS number
104758-20-5
Molecular formula
C23H30O5
InChIKey
UJYSKNUHBUUKAD-URHOCTSQSA-N
InChI
InChI=1S/C23H30O5/c1-14(2)18-13-19(24)22(4)20(12-15(3)10-11-23(18,22)26)28-21(25)16-6-8-17(27-5)9-7-16/h6-9,12,14,18,20,26H,10-11,13H2,1-5H3/t18-,20-,22-,23+/m1/s1
Canonical SMILES
COc1ccc(C(=O)OC2C=C(C)CCC3(O)C(C(C)C)CC(=O)C23C)cc1
Isomeric SMILES
CC1=C[C@H]([C@]2(C(=O)C[C@@H]([C@]2(CC1)O)C(C)C)C)OC(=O)C3=CC=C(C=C3)OC

Synonyms

  • [(1R,3aR,4R,8aS)-8a-hydroxy-3a,6-dimethyl-3-oxo-1-propan-2-yl-2,4,7,8-tetrahydro-1H-azulen-4-yl] 4-methoxybenzoate
  • 4-Methoxybenzoic acid (1R)-1,2,3,3a,4,7,8,8a-octahydro-8abeta-hydroxy-3abeta,6-dimethyl-1beta-(1-methylethyl)

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
386.49 g/molcalc.
Exact mass
386.2093 Dacalc.
LogP (octanol/water)
3.94calc.
Topological polar surface area
72.83 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.57calc.
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=C(OC1C=CCCC2CCC(=O)C21)c1ccccc1

O=C(OC1C=CCCC2CCC(=O)C21)c1ccccc1

3 rings, 20 atoms.

No other chemical in our database has 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.

Fercomin suppliers

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Fercomin 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 Fercomin is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Fercomin?

Fercomin has been reported in Ferula jaeschkeana, Ferula communis, and other organisms.

What is the CAS number of Fercomin?

The CAS registry number of Fercomin is 104758-20-5.

What is the molecular formula and weight of Fercomin?

The molecular formula of Fercomin is C23H30O5 and its molar mass is 386.49 g/mol.

What is Fercomin used for?

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

Is Fercomin hazardous?

No GHS hazard classification for Fercomin 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 Fercomin?

Fercomin is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Fercomin?

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

What is the price of Fercomin?

Suppliers quote Fercomin 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 Fercomin

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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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