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Screening compounds

Deoxylimonoic acid

Also known as Deoxylimonic acid, Deoxylimonate

CAS 35606-75-8Formula C26H32O8Molar mass 472.53 g/mol
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Deoxylimonoic acid chemical structure, C26H32O8, CAS 35606-75-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
35606-75-8
Formula
C26H32O8
Molar mass
472.53 g/mol
HS code
293220
Category
Screening compounds

What is Deoxylimonoic acid?

Plain description, key identifiers and synonyms

Deoxylimonoic acid is a member of furans, a lactone, a monocarboxylic acid, an organic heterobicyclic compound and a limonoid. It has a role as a metabolite. It is functionally related to a limonin. It is a conjugate acid of a deoxylimonoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(3R,3aR,7aS)-3a-[(1R,6S,8aR)-1-(furan-3-yl)-5,8a-dimethyl-3-oxo-4,6,7,8-tetrahydro-1H-isochromen-6-yl]-2,2-dimethyl-6-oxo-3,4,7,7a-tetrahydrofuro[3,2-c]pyran-3-yl]acetic acid
CAS number
35606-75-8
Molecular formula
C26H32O8
InChIKey
NLNLACOJSWLNHE-DYNITIQCSA-N
InChI
InChI=1S/C26H32O8/c1-14-16(5-7-25(4)17(14)9-22(30)33-23(25)15-6-8-31-12-15)26-13-32-21(29)11-19(26)34-24(2,3)18(26)10-20(27)28/h6,8,12,16,18-19,23H,5,7,9-11,13H2,1-4H3,(H,27,28)/t16-,18-,19-,23-,25+,26+/m0/s1
Canonical SMILES
CC1=C2CC(=O)OC(c3ccoc3)C2(C)CCC1C12COC(=O)CC1OC(C)(C)C2CC(=O)O
Isomeric SMILES
CC1=C2CC(=O)O[C@H]([C@@]2(CC[C@@H]1[C@@]34COC(=O)C[C@@H]3OC([C@@H]4CC(=O)O)(C)C)C)C5=COC=C5

Synonyms

  • Deoxylimonic acid
  • Deoxylimonate

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
472.53 g/molcalc.
Exact mass
472.2097 Dacalc.
LogP (octanol/water)
4.2calc.
Topological polar surface area
112.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
4calc.
Heavy atoms
34calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
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=C1CC2OCCC2(C2C=C3CC(=O)OC(c4ccoc4)C3CC2)CO1

O=C1CC2OCCC2(C2C=C3CC(=O)OC(c4ccoc4)C3CC2)CO1

5 rings, 26 atoms.

1 other chemical 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.

Deoxylimonoic acid suppliers

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Deoxylimonoic 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

Roles

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

Frequently asked questions

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

What is Deoxylimonoic acid?

Deoxylimonoic acid is a member of furans, a lactone, a monocarboxylic acid, an organic heterobicyclic compound and a limonoid. It has a role as a metabolite. It is functionally related to a limonin. It is a conjugate acid of a deoxylimonoate.

What is the CAS number of Deoxylimonoic acid?

The CAS registry number of Deoxylimonoic acid is 35606-75-8.

What is the molecular formula and weight of Deoxylimonoic acid?

The molecular formula of Deoxylimonoic acid is C26H32O8 and its molar mass is 472.53 g/mol.

What is Deoxylimonoic acid used for?

Known uses and roles of Deoxylimonoic acid include building blocks in research and laboratory, screening compounds in research and laboratory and metabolite.

Is Deoxylimonoic acid hazardous?

No GHS hazard classification for Deoxylimonoic 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 Deoxylimonoic acid?

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

Where can I buy Deoxylimonoic acid?

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

What is the price of Deoxylimonoic acid?

Suppliers quote Deoxylimonoic 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 Deoxylimonoic 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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