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Heterocyclic compounds

Gedunin

Also known as ((1S,2R,4S,7S,8S,11R,12R,17R,19R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo(9.8.0.02,4.02,8.012,17)nonadec-13-en-19-yl) acetate, [(1S,2R,4S,7S,8S,11R,12R,17R,19R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-en-19-yl] acetate, (-)-gedunin

CAS 2753-30-2Formula C28H34O7Molar mass 482.57 g/molEC 689-008-9
GHS signal word: Warning. Pictograms: Harmful or irritant 6 suppliers listed
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Gedunin chemical structure, C28H34O7, CAS 2753-30-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2753-30-2
Formula
C28H34O7
Molar mass
482.57 g/mol
EC number
689-008-9
HS code
293220
Category
Heterocyclic compounds

What is Gedunin?

Plain description, key identifiers and synonyms

Gedunin is a pentacyclic triterpenoid natural product found particularly in Azadirachta indica and Cedrela odorata. It has a role as an antineoplastic agent, an antimalarial, a Hsp90 inhibitor and a plant metabolite. It is a member of furans, a lactone, a pentacyclic triterpenoid, an epoxide, an organic heteropentacyclic compound, a limonoid, an acetate ester and an enone.

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)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-en-19-yl] acetate
CAS number
2753-30-2 CAS number cross-checked
EC number
689-008-9
Molecular formula
C28H34O7
UNII
VH4BN8F5Z5
InChIKey
YJXDGWUNRYLINJ-BHAPSIHVSA-N
InChI
InChI=1S/C28H34O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3/t17-,18+,20-,21+,22-,25-,26+,27+,28-/m1/s1
Canonical SMILES
CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C
Isomeric SMILES
CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1([C@]45[C@H](O4)C(=O)O[C@H]([C@@]5(CC3)C)C6=COC=C6)C)C

Synonyms

  • ((1S,2R,4S,7S,8S,11R,12R,17R,19R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo(9.8.0.02,4.02,8.012,17)nonadec-13-en-19-yl) acetate
  • [(1S,2R,4S,7S,8S,11R,12R,17R,19R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-en-19-yl] acetate
  • (-)-gedunin
  • Gedunine\, (-)-gedunin
  • D-Homo-24-nor-17-oxachola-1,20,22-triene-3,16-dione, 7-(acetyloxy)-14,15:21,23-diepoxy-4,4,8-trimethyl-, (5alpha,7alpha,13alpha,14beta,15beta,17aalpha)-
  • [(1S,2R,4S,7S,8S,11R,12R,17R,19R)-7-(3-furyl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-en-19-yl] acetate
  • D-Homo-24-nor-17-oxachola-1,20,22-triene-3,16-dione, 7-(acetyloxy)-14,15:21,23-diepoxy-4,4,8-trimethyl-(5alpha,7alpha,13alpha,14beta,15beta,17aalpha)-

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
482.57 g/molcalc.
Exact mass
482.2305 Dacalc.
LogP (octanol/water)
4.56calc.
Topological polar surface area
95.34 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
2calc.
Heavy atoms
35calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.68calc.
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

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H332Harmful if inhaled.
Precautionary statements (13)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Gedunin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 6 suppliers
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Where suppliers are based

6 suppliers in 3 countries

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Gedunin 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

  • Hsp90 inhibitor
  • antiinfective agent
  • antimalarial
  • antimicrobial agent
  • antimicrobial drug
  • antineoplastic agent
  • antiparasitic agent
  • antiplasmodial drug
  • antiprotozoal drug
  • enzyme inhibitor
  • 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 Gedunin 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 Gedunin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Gedunin?

Gedunin is a pentacyclic triterpenoid natural product found particularly in Azadirachta indica and Cedrela odorata. It has a role as an antineoplastic agent, an antimalarial, a Hsp90 inhibitor and a plant metabolite.

What is the CAS number of Gedunin?

The CAS registry number of Gedunin is 2753-30-2.

What is the molecular formula and weight of Gedunin?

The molecular formula of Gedunin is C28H34O7 and its molar mass is 482.57 g/mol.

What is Gedunin used for?

Known uses and roles of Gedunin include cooling agents in flavors and fragrances, hsp90 inhibitor, antiinfective agent, antimalarial, antimicrobial agent and 10 more.

Is Gedunin hazardous?

Gedunin carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, harmful if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Gedunin?

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

Where can I buy Gedunin?

CompoundList lists 6 suppliers of Gedunin in United States, China and India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Gedunin in India?

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

What is the price of Gedunin?

Suppliers quote Gedunin 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 Gedunin

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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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