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Screening compounds

Gustastatin

Also known as [3-methoxy-4-methoxycarbonyl-5-(2-oxoheptyl)phenyl] 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate, (3-methoxy-4-methoxycarbonyl-5-(2-oxoheptyl)phenyl) 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate

CAS 720698-33-9Formula C31H40O9Molar mass 556.65 g/mol
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Gustastatin chemical structure, C31H40O9, CAS 720698-33-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
720698-33-9
Formula
C31H40O9
Molar mass
556.65 g/mol
HS code
291899
Category
Screening compounds

What is Gustastatin?

Plain description, key identifiers and synonyms

Gustastatin is a carbonyl compound. It has a role as a metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[3-methoxy-4-methoxycarbonyl-5-(2-oxoheptyl)phenyl] 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate
CAS number
720698-33-9
Molecular formula
C31H40O9
InChIKey
FHOVJOXBAHBKGJ-UHFFFAOYSA-N
InChI
InChI=1S/C31H40O9/c1-6-8-10-12-22(32)14-20-16-24(37-3)18-26(34)28(20)31(36)40-25-17-21(15-23(33)13-11-9-7-2)29(30(35)39-5)27(19-25)38-4/h16-19,34H,6-15H2,1-5H3
SMILES (canonical and isomeric)
CCCCCC(=O)CC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)OC)C(=O)OC)CC(=O)CCCCC

Synonyms

  • [3-methoxy-4-methoxycarbonyl-5-(2-oxoheptyl)phenyl] 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate
  • (3-methoxy-4-methoxycarbonyl-5-(2-oxoheptyl)phenyl) 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate

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
556.65 g/molcalc.
Exact mass
556.2672 Dacalc.
LogP (octanol/water)
5.8calc.
Topological polar surface area
125.4 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
17calc.
Heavy atoms
40calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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(Oc1ccccc1)c1ccccc1

O=C(Oc1ccccc1)c1ccccc1

2 rings, 15 atoms, the Phenyl benzoate ring system.

2,426 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.

Gustastatin suppliers

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Gustastatin 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

Roles

  • metabolite

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

Frequently asked questions

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

What is Gustastatin?

Gustastatin is a carbonyl compound. It has a role as a metabolite.

What is the CAS number of Gustastatin?

The CAS registry number of Gustastatin is 720698-33-9.

What is the molecular formula and weight of Gustastatin?

The molecular formula of Gustastatin is C31H40O9 and its molar mass is 556.65 g/mol.

What is Gustastatin used for?

Known uses and roles of Gustastatin include building blocks in research and laboratory, screening compounds in research and laboratory and metabolite.

Is Gustastatin hazardous?

No GHS hazard classification for Gustastatin 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 Gustastatin?

Gustastatin 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 Gustastatin?

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What is the price of Gustastatin?

Suppliers quote Gustastatin 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 Gustastatin

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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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