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Heterocyclic compounds

Deacetylgedunin

Also known as 7-deacetylgedunin, 7-deacetoxy-7alpha-hydroxygedunin, (1S,2R,4S,7S,8S,11R,12R,17R,19R)-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-dione

CAS 10314-90-6Formula C26H32O6Molar mass 440.54 g/mol
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Deacetylgedunin chemical structure, C26H32O6, CAS 10314-90-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
10314-90-6
Formula
C26H32O6
Molar mass
440.54 g/mol
HS code
293220
Category
Heterocyclic compounds

What is Deacetylgedunin?

Plain description, key identifiers and synonyms

7-deacetylgedunin is a limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica. It has a role as a metabolite, an antimalarial, an anti-inflammatory agent and a plant metabolite. It is a delta-lactone, a member of furans, a pentacyclic triterpenoid, an epoxide, a cyclic terpene ketone, a limonoid and an enone. It is functionally related to a gedunin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,4S,7S,8S,11R,12R,17R,19R)-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-dione
CAS number
10314-90-6
Molecular formula
C26H32O6
InChIKey
HCEYJYMNIQHPPK-DXTZDJJUSA-N
InChI
InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,18-20,28H,6,10,12H2,1-5H3/t15-,16+,18-,19+,20-,23-,24+,25+,26-/m1/s1
Canonical SMILES
CC1(C)C(=O)C=CC2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321
Isomeric SMILES
C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)C([C@@H]4C[C@H]([C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)O)(C)C)C

Synonyms

  • 7-deacetylgedunin
  • 7-deacetoxy-7alpha-hydroxygedunin
  • (1S,2R,4S,7S,8S,11R,12R,17R,19R)-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-dione
  • 14,15:21,23-Diepoxy-7-hydroxy-4,4,8-trimethyl-D-homo-24-nor-17-oxachlola-1,20-,22-triene-3,16-dione (5alpha,7alpha,13alpha,14beta,15beta,17aalpha)-
  • D-Homo-24-nor-17-oxachlola-1,20-,22-triene-3,16-dione, 14,15:21,23-diepoxy-7-hydroxy-4,4,8-trimethyl-, (5alpha,7alpha,13alpha,14beta,15beta,17aalpha)-
  • 7-Desacetylgedunin
  • (5alpha,7alpha,13alpha,14beta,15beta,17aalpha)-14,15:21,23-diepoxy-7-hydroxy-4,4,8-trimethyl-D-homo-24-nor-17-oxachlola-1,20-,22-triene-3,16-dione
  • (1S,2R,4S,7S,8S,11R,12R,17R,19R)-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo(9.8.0.02,4.02,8.012,17)nonadec-13-ene-5,15-dione
  • 7-Deacetyl Genudin

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
440.54 g/molcalc.
Exact mass
440.2199 Dacalc.
LogP (octanol/water)
3.99calc.
Topological polar surface area
89.27 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
32calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.69calc.
Formal charge
0calc.
Stereocentres
9calc.
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=CC2C(CCC3C2CCC2C(c4ccoc4)OC(=O)C4OC423)C1

O=C1C=CC2C(CCC3C2CCC2C(c4ccoc4)OC(=O)C4OC423)C1

6 rings, 26 atoms.

3 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.

Deacetylgedunin suppliers

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Deacetylgedunin 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

  • anti-inflammatory agent
  • antiinfective agent
  • antimalarial
  • antimicrobial agent
  • antimicrobial drug
  • antiparasitic agent
  • antiplasmodial drug
  • antiprotozoal drug
  • eukaryotic metabolite
  • metabolite
  • pharmaceutical
  • plant 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 Deacetylgedunin 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 Deacetylgedunin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Deacetylgedunin?

7-deacetylgedunin is a limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica. It has a role as a metabolite, an antimalarial, an anti-inflammatory agent and a plant metabolite.

What is the CAS number of Deacetylgedunin?

The CAS registry number of Deacetylgedunin is 10314-90-6.

What is the molecular formula and weight of Deacetylgedunin?

The molecular formula of Deacetylgedunin is C26H32O6 and its molar mass is 440.54 g/mol.

What is Deacetylgedunin used for?

Known uses and roles of Deacetylgedunin include anti-inflammatory agent, antiinfective agent, antimalarial, antimicrobial agent, antimicrobial drug and 7 more.

Is Deacetylgedunin hazardous?

No GHS hazard classification for Deacetylgedunin 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 Deacetylgedunin?

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

Where can I buy Deacetylgedunin?

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

Where can I buy Deacetylgedunin in India?

1 supplier in India list Deacetylgedunin on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Deacetylgedunin?

Suppliers quote Deacetylgedunin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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