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Screening compounds

(+)-Geodin

Also known as Estin, Erdin (+)-form methyl ester, (+)-erdin methyl ester

CAS 427-63-4Formula C17H12Cl2O7Molar mass 399.18 g/mol
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(+)-Geodin chemical structure, C17H12Cl2O7, CAS 427-63-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
427-63-4
Formula
C17H12Cl2O7
Molar mass
399.18 g/mol
HS code
293299
Category
Screening compounds

What is (+)-Geodin?

Plain description, key identifiers and synonyms

(+)-geodin is an oxaspiro compound that is 3H,4'H-spiro[[1]benzofuran-2,1'-cyclohexa[2,5]diene]-3,4'-dione substituted by methoxycarbonyl, hydroxy, chloro, methyl, methoxy and chloro groups at positions 2', 4, 5, 6, 6' and 7, respectively. It is a fungal metabolite isolated from Aspergillus terreus and Penicillium glabrum. It has a role as an Aspergillus metabolite and a Penicillium metabolite. It is a methyl ester, an ether, a member of phenols, an organochlorine compound, an oxaspiro compound and a member of 1-benzofurans. It is a conjugate acid of a (+)-geodin(1-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (2R)-5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
CAS number
427-63-4
Molecular formula
C17H12Cl2O7
UNII
4293R7B06X
InChIKey
LUBKKVGXMXTXOZ-QGZVFWFLSA-N
InChI
InChI=1S/C17H12Cl2O7/c1-6-11(18)13(21)10-14(12(6)19)26-17(15(10)22)8(16(23)25-3)4-7(20)5-9(17)24-2/h4-5,21H,1-3H3/t17-/m1/s1
Canonical SMILES
COC(=O)C1=CC(=O)C=C(OC)C12Oc1c(Cl)c(C)c(Cl)c(O)c1C2=O
Isomeric SMILES
CC1=C(C(=C2C(=C1Cl)O[C@]3(C2=O)C(=CC(=O)C=C3OC)C(=O)OC)O)Cl

Synonyms

  • Estin
  • Erdin (+)-form methyl ester
  • (+)-erdin methyl ester
  • methyl (2R)-5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
  • (2R)-methyl-5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxospiro-[benzofuran-2,1'-cyclohexa-2',5'-diene]-2'-carboxylate
  • methyl (1'R)-5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-3H-spiro[[1]benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate
  • Spiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-2'-carboxylic acid, 5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-, methyl ester, (+)-
  • (2R)-methyl 5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxospiro(benzofuran-2,1'-cyclohexa-2',5'-diene)-2'-carboxylate
  • (2R)-methyl 5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxospiro[benzofuran-2,1'-cyclohexa-2',5'-diene]-2'-carboxylate
  • (2R)-methyl-5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxospiro-(benzofuran-2,1'-cyclohexa-2',5'-diene)-2'-carboxylate
  • methyl (1'R)-5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-3H-spiro((1)benzofuran-2,1'-cyclohexa(2,5)diene)-2'-carboxylate
  • methyl (2R)-5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro(1-benzofuran-2,6'-cyclohexa-1,4-diene)-1'-carboxylate
  • d-Geodin
  • Spiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-2'-carboxylic acid, 5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-, methyl ester, (1'r)-

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
399.18 g/molcalc.
Exact mass
397.996 Dacalc.
LogP (octanol/water)
2.53calc.
Topological polar surface area
99.13 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
2calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.24calc.
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.

(+)-Geodin suppliers

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(+)-Geodin price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • Aspergillus metabolite
  • Penicillium metabolite
  • eukaryotic metabolite
  • fungal metabolite
  • 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 (+)-Geodin 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 (+)-Geodin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about (+)-Geodin, based on the data on this page

What is (+)-Geodin?

(+)-geodin is an oxaspiro compound that is 3H,4'H-spiro[[1]benzofuran-2,1'-cyclohexa[2,5]diene]-3,4'-dione substituted by methoxycarbonyl, hydroxy, chloro, methyl, methoxy and chloro groups at positions 2', 4, 5, 6, 6' and 7, respectively.

What is the CAS number of (+)-Geodin?

The CAS registry number of (+)-Geodin is 427-63-4.

What is the molecular formula and weight of (+)-Geodin?

The molecular formula of (+)-Geodin is C17H12Cl2O7 and its molar mass is 399.18 g/mol.

What is (+)-Geodin used for?

Known uses and roles of (+)-Geodin include building blocks in research and laboratory, screening compounds in research and laboratory, aspergillus metabolite, penicillium metabolite, eukaryotic metabolite and 2 more.

Is (+)-Geodin hazardous?

No GHS hazard classification for (+)-Geodin 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 (+)-Geodin?

(+)-Geodin 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 (+)-Geodin?

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What is the price of (+)-Geodin?

Suppliers quote (+)-Geodin 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 (+)-Geodin

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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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