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Heterocyclic compounds

Deacetylnimbin

Also known as 6-Deacetylnimbin, Desacetylnimbin, Desacetyl Nimbin

CAS 18609-16-0Formula C28H34O8Molar mass 498.57 g/mol
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Deacetylnimbin chemical structure, C28H34O8, CAS 18609-16-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
18609-16-0
Formula
C28H34O8
Molar mass
498.57 g/mol
HS code
293219
Category
Heterocyclic compounds

What is Deacetylnimbin?

Plain description, key identifiers and synonyms

6-deacetylnimbin is a limonoid that is nimbin in which the acetyloxy group at position 6 is replaced by a hydroxy hroup. It has been isolated from Azadirachta indica. It has a role as an antifeedant, an insect growth regulator and a plant metabolite. It is a member of furans, a methyl ester, a tetracyclic triterpenoid, a cyclic terpene ketone, a limonoid, a diester and an enone. It is functionally related to a nimbin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1S,2R,3R,4R,8R,9S,10R,13R,15R)-13-(furan-3-yl)-2-hydroxy-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate
CAS number
18609-16-0
Molecular formula
C28H34O8
InChIKey
CTBHKOAPXBDFPX-PQYHCQQJSA-N
InChI
InChI=1S/C28H34O8/c1-14-16(15-8-10-35-13-15)11-17-21(14)28(4)18(12-20(30)33-5)27(3)19(29)7-9-26(2,25(32)34-6)23(27)22(31)24(28)36-17/h7-10,13,16-18,22-24,31H,11-12H2,1-6H3/t16-,17-,18-,22-,23+,24-,26-,27+,28-/m1/s1
Canonical SMILES
COC(=O)CC1C2(C)C3=C(C)C(c4ccoc4)CC3OC2C(O)C2C(C)(C(=O)OC)C=CC(=O)C21C
Isomeric SMILES
CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@@H]([C@H]4O)[C@](C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C

Synonyms

  • 6-Deacetylnimbin
  • Desacetylnimbin
  • Desacetyl Nimbin
  • nimbic acid dimethyl ester
  • Deacetylnimbin, Desacetylnimbin
  • Nimbin, O-de-acetyl derivative of

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
498.57 g/molcalc.
Exact mass
498.2254 Dacalc.
LogP (octanol/water)
3.35calc.
Topological polar surface area
112.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
36calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.61calc.
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=CCC2CC3OC4CC(c5ccoc5)C=C4C3CC12

O=C1C=CCC2CC3OC4CC(c5ccoc5)C=C4C3CC12

5 rings, 22 atoms.

7 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.

Deacetylnimbin suppliers

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Where suppliers are based

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Deacetylnimbin price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antifeedant
  • eukaryotic metabolite
  • growth regulator
  • insect growth regulator
  • insecticide
  • metabolite
  • pesticide
  • 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 Deacetylnimbin is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Deacetylnimbin?

6-deacetylnimbin is a limonoid that is nimbin in which the acetyloxy group at position 6 is replaced by a hydroxy hroup. It has been isolated from Azadirachta indica. It has a role as an antifeedant, an insect growth regulator and a plant metabolite.

What is the CAS number of Deacetylnimbin?

The CAS registry number of Deacetylnimbin is 18609-16-0.

What is the molecular formula and weight of Deacetylnimbin?

The molecular formula of Deacetylnimbin is C28H34O8 and its molar mass is 498.57 g/mol.

What is Deacetylnimbin used for?

Known uses and roles of Deacetylnimbin include antifeedant, eukaryotic metabolite, growth regulator, insect growth regulator, insecticide and 3 more.

Is Deacetylnimbin hazardous?

No GHS hazard classification for Deacetylnimbin 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 Deacetylnimbin?

Deacetylnimbin is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Deacetylnimbin?

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

What is the price of Deacetylnimbin?

Suppliers quote Deacetylnimbin 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 Deacetylnimbin

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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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