Nimbin
Key facts
What buyers check first
- CAS number
- 5945-86-8
- Formula
- C30H36O9
- Molar mass
- 540.61 g/mol
- EC number
- 611-830-3
- HS code
- 293219
- Category
- Agrochemicals
What is Nimbin?
Plain description, key identifiers and synonyms
Nimbin is a member of furans, a methyl ester, a tetracyclic triterpenoid, a cyclic terpene ketone, a limonoid, an acetate ester and an enone. It has a role as a pesticide and a plant metabolite.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- methyl (1S,2R,3R,4R,8R,9S,10R,13R,15R)-2-acetyloxy-13-(furan-3-yl)-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
- 5945-86-8 CAS number cross-checked
- EC number
- 611-830-3
- Molecular formula
- C30H36O9
- UNII
- N4CTG7K9IU
- MDL number
- MFCD23103739
- InChIKey
- NHOIBRJOQAYBJT-IMGVWCFESA-N
- InChI
- InChI=1S/C30H36O9/c1-15-18(17-9-11-37-14-17)12-19-23(15)30(5)20(13-22(33)35-6)29(4)21(32)8-10-28(3,27(34)36-7)25(29)24(26(30)39-19)38-16(2)31/h8-11,14,18-20,24-26H,12-13H2,1-7H3/t18-,19-,20-,24-,25+,26-,28-,29+,30-/m1/s1
- Canonical SMILES
- COC(=O)CC1C2(C)C3=C(C)C(c4ccoc4)CC3OC2C(OC(C)=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]4OC(=O)C)[C@](C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C
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 | 540.61 g/molcalc.Computed value |
|---|---|
| Exact mass | 540.2359 Dacalc.Computed value |
| LogP (octanol/water) | 3.92calc.Computed value |
| Topological polar surface area | 118.3 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 9calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 39calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.6calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 9calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
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.
Nimbin suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United States, New MilfordUnclaimed profileNimbinGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
1 supplier in 1 country
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Nimbin price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- eukaryotic metabolite
- 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 Nimbin is traded under.
Compounds containing an unfused furan ring (whether or not hydrogenated) in the…
The HS code shown for Nimbin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Nimbin, based on the data on this page
What is Nimbin?
What is the CAS number of Nimbin?
What is the molecular formula and weight of Nimbin?
What is Nimbin used for?
Is Nimbin hazardous?
What is the HS code of Nimbin?
Where can I buy Nimbin?
What is the price of Nimbin?
Guides for buyers
Practical guides that help when you source, ship or handle Nimbin
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, RegulationREACH basics for non EU exportersWhat EU REACH requires, why non EU manufacturers use an only representative, tonnage bands, joint registration, exemptions, SDS and label duties, and practical steps.Read
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