Ecdysone
Also known as (2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one, 2beta,3beta,14alpha,22R,25-pentahydroxy-5beta-cholest-7-en-6-one, (22R)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one
Key facts
What buyers check first
- CAS number
- 3604-87-3
- Formula
- C27H44O6
- Molar mass
- 464.64 g/mol
- EC number
- 222-760-4
- HS code
- 291440
- Category
- Steroids and sterols
What is Ecdysone?
Plain description, key identifiers and synonyms
Ecdysone is a 6-oxo steroid that is 5beta-cholest-7-en-6-one substituted by hydroxy groups at positions 2, 3, 14, 22 and 25 respectively (the 2beta, 3beta, 22R stereoisomer). It is a steroid prohormone of the major insect moulting hormone 20-hydroxyecdysone. It has a role as a prohormone. It is an ecdysteroid, a 3beta-sterol, a 2beta-hydroxy steroid, a 14alpha-hydroxy steroid, a 22-hydroxy steroid, a 25-hydroxy steroid and a 6-oxo steroid. It derives from a hydride of a 5beta-cholestane.
Ecdysone is a precursor of an insect hormone.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
- CAS number
- 3604-87-3 CAS number cross-checked
- EC number
- 222-760-4
- Molecular formula
- C27H44O6
- UNII
- RH692X7B7B
- InChIKey
- UPEZCKBFRMILAV-JMZLNJERSA-N
- InChI
- InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1
- Canonical SMILES
- CC(C(O)CCC(C)(C)O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
- Isomeric SMILES
- C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)[C@@H](CCC(C)(C)O)O
Synonyms
- (2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one
- 2beta,3beta,14alpha,22R,25-pentahydroxy-5beta-cholest-7-en-6-one
- (22R)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one
- Cholest-7-en-6-one, 2,3,14,22,25-pentahydroxy-, (2beta,3beta,5beta,22R)-
- alpha-Ecdysone
- 5-beta-Cholest-7-en-6-one, 2-beta,3-beta,14,22,25-pentahydroxy-, (20S,22R)-
- a-Ecdysone ( >90%)
- (2ss,3ss,5ss,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one
- cent-Ecdysone
- a-Ecdysone
- Cholest-7-en-6-one, 2,3,14,22,25-pentahydroxy-, (2b,3b,5b,22R)-
- alpha-Ecdysone, >=90%
- 4-08-00-03613 (Beilstein Handbook Reference)
- MeSH ID: D004440
- (22R)-2beta,3beta,14,22,25-pentahydroxy-5beta-cholest-7-en-6-one
- alpha-Ecdysone, >=99.0% (UV)
- Cholest-7-en-6-one, 2,3,14,22,25-pentahydroxy-, (2-beta,3-beta,5-beta,22R)-
- 2b,3b,14a,22(R),25-Pentahydroxy-7-cholesten-6-one
- (22R)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one, Ecdysone
- 5beta-Cholest-7-en-6-one, 2beta,3beta,14,22,25-pentahydroxy-, (20S,22R)-
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 | 464.64 g/molcalc.Computed value |
|---|---|
| Exact mass | 464.3138 Dacalc.Computed value |
| LogP (octanol/water) | 2.74calc.Computed value |
| Topological polar surface area | 118.2 Ųcalc.Computed value |
| Hydrogen bond donors | 5calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 33calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.89calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 10calc.Computed value |
| Lipinski rule of five | Passes (0 violations)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.
Ecdysone suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- ChinaUnclaimed profileEcdysoneGrade, purity and minimum order on requestPrice on request
- China, Xi'anUnclaimed profileEcdysoneGrade, purity and minimum order on requestPrice on request
- Price on request
- United States, San DiegoUnclaimed profileEcdysoneGrade, purity and minimum order on requestPrice on request
- United States, San DiegoUnclaimed profileEcdysoneGrade, purity and minimum order on requestPrice on request
- United States, Monmouth JunctionUnclaimed profileEcdysoneGrade, purity and minimum order on requestPrice on request
- Spain, BarcelonaUnclaimed profileEcdysoneGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileEcdysoneGrade, purity and minimum order on requestPrice on request
- China, ChangzhouUnclaimed profileEcdysoneGrade, 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
38 suppliers in 8 countries
- United States16
- China13
- Spain2
- United Kingdom2
- Latvia2
- Canada1
- and 2 more countries
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Ecdysone 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
Roles
- prohormone
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 Ecdysone is traded under.
Ketone-alcohols and ketone-aldehydes
- China29.5%
- Germany14.4%
- Netherlands12.7%
- United States37.2%
- Netherlands8.5%
- Germany6.4%
The HS code shown for Ecdysone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Ecdysone, based on the data on this page
What is Ecdysone?
What is the CAS number of Ecdysone?
What is the molecular formula and weight of Ecdysone?
What is Ecdysone used for?
Is Ecdysone hazardous?
What is the HS code of Ecdysone?
Where can I buy Ecdysone?
What is the price of Ecdysone?
Guides for buyers
Practical guides that help when you source, ship or handle Ecdysone
- 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, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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