Gestodene
Also known as Gestoden, Gestodeno, SH B 331
Key facts
What buyers check first
- CAS number
- 60282-87-3
- Formula
- C21H26O2
- Appearance
- Crystals from acetone-hexane
- Melting point
- 197.9 °C
- HS code
- 293723
- Category
- Steroids and sterols

What is Gestodene?
Plain description, key identifiers and synonyms
Gestodene is a steroid. It has a role as an estrogen.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one
- CAS number
- 60282-87-3 CAS number cross-checked
- EC number
- 262-145-8
- Molecular formula
- C21H26O2
- UNII
- 1664P6E6MI
- MDL number
- MFCD00867858
- InChIKey
- SIGSPDASOTUPFS-XUDSTZEESA-N
- InChI
- InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
- Canonical SMILES
- C#CC1(O)C=CC2C3CCC4=CC(=O)CCC4C3CCC21CC
- Isomeric SMILES
- CC[C@]12CC[C@H]3[C@H]([C@@H]1C=C[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34
Synonyms
- Gestoden
- Gestodeno
- SH B 331
- Gestodenum
- 13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregna-4,15-dien-20-yn-3-one
- 18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)-
- Pregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-18,19-dinor-, (17alpha)-
- (1S,2R,10R,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-6,12-dien-5-one
- (1S,2R,10R,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-6,12-dien-5-one
- 17-alpha-ethinyl-13-ethyl-17 beta-hydroxy-4,15-gonadien-3-one
- 13-ethyl-17-hydroxy-18,19-dinor-17 alpha-pregna-4,15-dien-20-yn-3-one
- (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one
- 18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17a)-
- Gestinol
- (8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-6,7,8,9,10,11,12,13,14,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
- SHB 331, WL 70
- Gestodene CRS
- Gestodene (Standard)
- Gestodene (USAN/INN)
- 17-alpha-Ethinyl-13-ethyl-17-beta-hydroxy-4,15-gonadien-3-one
- Gestodene - Bio-X trade mark
- Gestodene, >=98% (HPLC)
- Gestodene for system suitability CRS
- Femodene (ethinylestradiol, gestodene)
- 18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17alpha)-
Show all 26 synonymsShow fewer synonyms
- Millinette (ethinylestradiol, gestodene)
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
| Appearance | Crystals from acetone-hexaneexp.Measured value |
|---|---|
| Melting point | 197.9 °Cexp.Measured value |
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 | 310.44 g/molcalc.Computed value |
|---|---|
| Exact mass | 310.1933 Dacalc.Computed value |
| LogP (octanol/water) | 3.66calc.Computed value |
| Topological polar surface area | 37.3 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 23calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.67calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 6calc.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
Hazard statements
- H351Suspected of causing cancer.
- H360May damage fertility or the unborn child.
- H361Suspected of damaging fertility or the unborn child.
- H362May cause harm to breast-fed children.
- H400Very toxic to aquatic life.
- H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (11)
- P203Obtain, read and follow all safety instructions before use.
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P263Avoid contact during pregnancy and while nursing.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P318If exposed or concerned, get medical advice.
- P391Collect spillage.
- P405Store locked up.
- 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 aidGestodene suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, Taizhou ManufacturerUnclaimed profileGestodeneGrade, purity and minimum order on requestPrice on request
- China, HangzhouUnclaimed profileGestodeneGrade, purity and minimum order on requestPrice on request
- China, BeijingUnclaimed profileGestodeneGrade, purity and minimum order on requestPrice on request
- China, Beijing ManufacturerUnclaimed profileGestodeneGrade, purity and minimum order on requestPrice on request
- Italy, Saronno ManufacturerUnclaimed profileGestodeneGrade, purity and minimum order on requestPrice on request
- Price on request
- China, ShanghaiUnclaimed profileGestodeneGrade, purity and minimum order on requestPrice on request
- Price on request
- India ManufacturerUnclaimed profileGestodeneGrade, purity and minimum order on requestPrice on request
- Price 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
33 suppliers in 9 countries
- China14
- United States11
- Germany2
- Spain1
- United Kingdom1
- India1
- and 3 more countries
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Gestodene 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
A progestogen hormonal contraceptive.
Pharmacological actions
- Contraceptives, Oral, Hormonal
- Contraceptives, Oral, Synthetic
- Progestins
Roles
- agonist
- estrogen
- hormone
- molecular messenger
- sex hormone
How it is made
Prepn: Belg. pat. 847,090, H. Hofmeister et al., U.S. pat. 4,081,537 (1977, 1978 both to Schering AG).
It can be prepared from the 17-keto steriod [18-methylestrone methyl ether] in a multistep synthesis involving palladium-catalysed conversion of its enol ether to an enone, reduction to the corresponding allylic alcohol, partial reduction of the aromatic ring, regeneration of the enone and ethinylation.
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 Gestodene is traded under.
Oestrogens and progestogens
- China42.9%
- Italy18.4%
- Netherlands8.9%
- India * partner reported12.1%
- United States11.0%
- Belgium8.3%
* Partner reported figures, a lower bound.
The HS code shown for Gestodene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Gestodene, based on the data on this page
What is Gestodene?
What is the CAS number of Gestodene?
What is the molecular formula and weight of Gestodene?
What is Gestodene used for?
Is Gestodene hazardous?
What is the HS code of Gestodene?
Where can I buy Gestodene?
Where can I buy Gestodene in India?
What is the price of Gestodene?
Guides for buyers
Practical guides that help when you source, ship or handle Gestodene
- 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, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- 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
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