CompoundList

Trypacidin

Also known as methyl 4,5'-dimethoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate, methyl 4,5'-dimethoxy-6-methyl-3,3'-dioxospiro(1-benzofuran-2,6'-cyclohexa-1,4-diene)-1'-carboxylate, (-)-4,6/'-Dimethoxy-6-methyl-3,4/'-dioxospiro[benzofuran-2(3H),1/'-[2,5]cyclohexadiene]-2/'-carboxyl

CAS 1900-29-4Formula C18H16O7Molar mass 344.32 g/mol
Trypacidin chemical structure, C18H16O7, CAS 1900-29-4
2D chemical structure

Key facts

What buyers check first

CAS number
1900-29-4
Formula
C18H16O7
Molar mass
344.32 g/mol
HS code
293299
Category
Screening compounds

What is Trypacidin?

Plain description, key identifiers and synonyms

Trypacidin has been reported in Aspergillus fumigatus and Rumex.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 4,5'-dimethoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
CAS number
1900-29-4 CAS number cross-checked
Molecular formula
C18H16O7
MDL number
MFCD01684067
InChIKey
KMZYINVXZDQCKC-UHFFFAOYSA-N
InChI
InChI=1S/C18H16O7/c1-9-5-12(22-2)15-13(6-9)25-18(16(15)20)11(17(21)24-4)7-10(19)8-14(18)23-3/h5-8H,1-4H3
SMILES (canonical and isomeric)
CC1=CC2=C(C(=C1)OC)C(=O)C3(O2)C(=CC(=O)C=C3OC)C(=O)OC

Synonyms

  • methyl 4,5'-dimethoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
  • methyl 4,5'-dimethoxy-6-methyl-3,3'-dioxospiro(1-benzofuran-2,6'-cyclohexa-1,4-diene)-1'-carboxylate
  • (-)-4,6/'-Dimethoxy-6-methyl-3,4/'-dioxospiro[benzofuran-2(3H),1/'-[2,5]cyclohexadiene]-2/'-carboxyl
  • Spiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-2'-carboxylic acid, 4,6'-dimethoxy-6-methyl-3,4'-dioxo-, methyl ester, (-)-
  • (-)-4,6'-Dimethoxy-6-methyl-3,4'-dioxospiro[benzofuran-2(3H),1'-[2,5]cyclohexadiene]-2'-carboxylic acid methyl ester
  • methyl 4,5'-dimethoxy-6-methyl-3,3'-dioxo-spiro[benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
  • Methyl 4,6'-dimethoxy-6-methyl-3,4'-dioxo-3H-spiro[[1]benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate
  • Methyl 4,6'-dimethoxy-6-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate

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
344.32 g/molcalc.
Exact mass
344.0896 Dacalc.
LogP (octanol/water)
1.53calc.
Topological polar surface area
88.13 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
3calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.28calc.
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=C1C=CC2(C=C1)Oc1ccccc1C2=O

O=C1C=CC2(C=C1)Oc1ccccc1C2=O

3 rings, 16 atoms.

13 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.

Trypacidin suppliers

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  • United Kingdom, AvonmouthUnclaimed profile
    TrypacidinGrade, purity and minimum order on request
    Price on request
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Where suppliers are based

1 supplier in 1 country

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Trypacidin 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 Trypacidin is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Trypacidin?

Trypacidin has been reported in Aspergillus fumigatus and Rumex.

What is the CAS number of Trypacidin?

The CAS registry number of Trypacidin is 1900-29-4.

What is the molecular formula and weight of Trypacidin?

The molecular formula of Trypacidin is C18H16O7 and its molar mass is 344.32 g/mol.

What is Trypacidin used for?

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

Is Trypacidin hazardous?

No GHS hazard classification for Trypacidin 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 Trypacidin?

Trypacidin is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Trypacidin?

CompoundList lists 1 supplier of Trypacidin in United Kingdom. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Trypacidin?

Suppliers quote Trypacidin 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

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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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