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Gestodene chemical structure, C21H26O2, CAS 60282-87-3
2D chemical structure

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
Illustrative photo, a shrink wrapped pallet of kraft paper sacks in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

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 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.
Melting point
197.9 °Cexp.

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.
Exact mass
310.1933 Dacalc.
LogP (octanol/water)
3.66calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
23calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C2CCC3C4C=CCC4CCC3C2CC1

O=C1C=C2CCC3C4C=CCC4CCC3C2CC1

4 rings, 18 atoms.

6 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

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 aid

Gestodene suppliers

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

All 33 suppliers
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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

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Gestodene price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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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.

HS 2937.23Indicative HS code

Oestrogens and progestogens

World exports in 2024
$762M
−2.3% vs 2023, imports $693M
2019 to 2024
Top exporters
  1. China42.9%
  2. Italy18.4%
  3. Netherlands8.9%
Top importers
  1. India * partner reported12.1%
  2. United States11.0%
  3. Belgium8.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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?

Gestodene is a steroid. It has a role as an estrogen.

What is the CAS number of Gestodene?

The CAS registry number of Gestodene is 60282-87-3.

What is the molecular formula and weight of Gestodene?

The molecular formula of Gestodene is C21H26O2 and its molar mass is 310.44 g/mol.

What is Gestodene used for?

A progestogen hormonal contraceptive.

Is Gestodene hazardous?

Gestodene carries the GHS signal word "Danger". Main hazards: suspected of causing cancer, may damage fertility or the unborn child, suspected of damaging fertility or the unborn child. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Gestodene?

Gestodene is usually classified under HS code 293723 (Oestrogens and progestogens). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Gestodene?

CompoundList lists 33 suppliers of Gestodene in China, United States, Germany, Spain and 5 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Gestodene in India?

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

What is the price of Gestodene?

Suppliers quote Gestodene 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 Gestodene

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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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