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Screening compounds

Melledonal C

Also known as 3-Formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate

CAS 117458-35-2Formula C24H29ClO8Molar mass 480.94 g/mol
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Melledonal C chemical structure, C24H29ClO8, CAS 117458-35-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
117458-35-2
Formula
C24H29ClO8
Molar mass
480.94 g/mol
HS code
291899
Category
Screening compounds

What is Melledonal C?

Plain description, key identifiers and synonyms

Melledonal C has been reported in Armillaria mellea, Armillaria heimii, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
CAS number
117458-35-2 CAS number cross-checked
Molecular formula
C24H29ClO8
InChIKey
RCBZBPPFXBBNCD-IQEKTTGQSA-N
InChI
InChI=1S/C24H29ClO8/c1-11-16(13(27)6-14(32-5)17(11)25)20(29)33-15-8-22(4)18-19(28)21(2,3)10-23(18,30)7-12(9-26)24(15,22)31/h6-7,9,15,18-19,27-28,30-31H,8,10H2,1-5H3/t15-,18-,19-,22-,23+,24+/m1/s1
Canonical SMILES
COc1cc(O)c(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(C=O)C23O)c(C)c1Cl
Isomeric SMILES
CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3[C@H](C(C4)(C)C)O)O)C=O)O)C

Synonyms

  • 3-Formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate

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
480.94 g/molcalc.
Exact mass
480.1551 Dacalc.
LogP (octanol/water)
2.31calc.
Topological polar surface area
133.5 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.58calc.
Formal charge
0calc.
Stereocentres
6calc.
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(OC1CC2C1C=CC1CCCC12)c1ccccc1

O=C(OC1CC2C1C=CC1CCCC12)c1ccccc1

4 rings, 20 atoms.

30 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.

Melledonal C suppliers

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

Frequently asked questions

Quick answers about Melledonal C, based on the data on this page

What is Melledonal C?

Melledonal C has been reported in Armillaria mellea, Armillaria heimii, and other organisms.

What is the CAS number of Melledonal C?

The CAS registry number of Melledonal C is 117458-35-2.

What is the molecular formula and weight of Melledonal C?

The molecular formula of Melledonal C is C24H29ClO8 and its molar mass is 480.94 g/mol.

What is Melledonal C used for?

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

Is Melledonal C hazardous?

No GHS hazard classification for Melledonal C 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 Melledonal C?

Melledonal C 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 Melledonal C?

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

What is the price of Melledonal C?

Suppliers quote Melledonal C 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 Melledonal C

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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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