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Screening compounds

Junicedric acid

Also known as (1S,4aR,5S,8aR)-5-[(3S)-4-carboxy-3-methylbutyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid, (1S,4aR,5S,8aR)-5-[(3S)-4-Carboxy-3-methylbutyl]-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylic acid

CAS 41787-69-3Formula C20H32O4Molar mass 336.47 g/mol
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Junicedric acid chemical structure, C20H32O4, CAS 41787-69-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
41787-69-3
Formula
C20H32O4
Molar mass
336.47 g/mol
HS code
291720
Category
Screening compounds

What is Junicedric acid?

Plain description, key identifiers and synonyms

junicedric acid has been reported in Pteris linearis, Juniperus formosana, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,4aR,5S,8aR)-5-[(3S)-4-carboxy-3-methylbutyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
CAS number
41787-69-3 CAS number cross-checked
Molecular formula
C20H32O4
InChIKey
HPQKNJHVWUWAOR-BWCMQUJESA-N
InChI
InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20-/m0/s1
Canonical SMILES
C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CCC(C)CC(=O)O
Isomeric SMILES
C[C@@H](CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(C)C(=O)O)C)CC(=O)O

Synonyms

  • (1S,4aR,5S,8aR)-5-[(3S)-4-carboxy-3-methylbutyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
  • (1S,4aR,5S,8aR)-5-[(3S)-4-Carboxy-3-methylbutyl]-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylic acid

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
336.47 g/molcalc.
Exact mass
336.2301 Dacalc.
LogP (octanol/water)
4.74calc.
Topological polar surface area
74.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
6calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
Formal charge
0calc.
Stereocentres
5calc.
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, C=C1CCC2CCCCC2C1

C=C1CCC2CCCCC2C1

2 rings, 11 atoms.

124 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.

Junicedric acid suppliers

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Junicedric 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 Junicedric acid is traded under.

HS 2917.20Indicative HS code

Cyclanic, cyclenic or cycloterpenic polycarboxylic acids, their anhydrides, halides…

World exports in 2024
$338M
+10.9% vs 2023, imports $464M
2019 to 2024
Top exporters
  1. China37.1%
  2. United States16.2%
  3. Italy15.5%
Top importers
  1. India * partner reported11.6%
  2. China9.4%
  3. Germany8.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Junicedric acid?

junicedric acid has been reported in Pteris linearis, Juniperus formosana, and other organisms.

What is the CAS number of Junicedric acid?

The CAS registry number of Junicedric acid is 41787-69-3.

What is the molecular formula and weight of Junicedric acid?

The molecular formula of Junicedric acid is C20H32O4 and its molar mass is 336.47 g/mol.

What is Junicedric acid used for?

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

Is Junicedric acid hazardous?

No GHS hazard classification for Junicedric 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 Junicedric acid?

Junicedric acid is usually classified under HS code 291720 (Cyclanic, cyclenic or cycloterpenic polycarboxylic acids, their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Junicedric acid?

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

What is the price of Junicedric acid?

Suppliers quote Junicedric 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 Junicedric 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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