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Screening compounds

Vesuvianic acid

Also known as 1-Ethoxy-1,3-dihydro-4-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carbaldehyde

CAS 63090-99-3Formula C21H18O9Molar mass 414.37 g/mol
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Vesuvianic acid chemical structure, C21H18O9, CAS 63090-99-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
63090-99-3
Formula
C21H18O9
Molar mass
414.37 g/mol
HS code
293220
Category
Screening compounds

What is Vesuvianic acid?

Plain description, key identifiers and synonyms

Vesuvianic acid has been reported in Stereocaulon alpinum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
17-ethoxy-13-hydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
CAS number
63090-99-3
Molecular formula
C21H18O9
InChIKey
MVXUYXFLAIPLJT-UHFFFAOYSA-N
InChI
InChI=1S/C21H18O9/c1-5-27-21-14-13(20(25)30-21)15(23)9(3)16-18(14)28-17-10(7-22)11(26-4)6-8(2)12(17)19(24)29-16/h6-7,21,23H,5H2,1-4H3
SMILES (canonical and isomeric)
CCOC1C2=C(C(=C(C3=C2OC4=C(C(=CC(=C4C=O)OC)C)C(=O)O3)C)O)C(=O)O1

Synonyms

  • 1-Ethoxy-1,3-dihydro-4-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carbaldehyde

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
414.37 g/molcalc.
Exact mass
414.0951 Dacalc.
LogP (octanol/water)
3.36calc.
Topological polar surface area
117.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
4calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
1calc.
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=C1Oc2ccc3c(c2Oc2ccccc21)COC3=O

O=C1Oc2ccc3c(c2Oc2ccccc21)COC3=O

4 rings, 20 atoms, the 7H-Isobenzofuro[4,5-b][1,4]benzodioxepin-3,7(1H)-dione ring system.

9 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.

Vesuvianic acid suppliers

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

Frequently asked questions

Quick answers about Vesuvianic acid, based on the data on this page

What is Vesuvianic acid?

Vesuvianic acid has been reported in Stereocaulon alpinum.

What is the CAS number of Vesuvianic acid?

The CAS registry number of Vesuvianic acid is 63090-99-3.

What is the molecular formula and weight of Vesuvianic acid?

The molecular formula of Vesuvianic acid is C21H18O9 and its molar mass is 414.37 g/mol.

What is Vesuvianic acid used for?

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

Is Vesuvianic acid hazardous?

No GHS hazard classification for Vesuvianic acid 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 Vesuvianic acid?

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

Where can I buy Vesuvianic acid?

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

What is the price of Vesuvianic acid?

Suppliers quote Vesuvianic acid 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 Vesuvianic acid

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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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