Home › Entities › (13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol › mestranol

mestranol

chemical compound
Class type of: (13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol Q904308

Facts

11 properties
Instance of
type of chemical entity
Subclass of
(13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Has use
medication
Canonical SMILES
CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC
Chemical formula
C₂₁H₂₆O₂
Found in taxon
Cunninghamella elegans
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC
Mass
+310.19328
Stereoisomer of
(8R,9S,13S,14R,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Subject has role
estrogen, carcinogen
World Health Organisation international non-proprietary name
mestranol
🏷️ Also known as
en (+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene en (+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene en 17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol en 3-Methoxy-17alpha-ethynylestradiol en 3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17beta-ol en EE3-ME en Ethynylestradiol 3-methyl ether en mestranol en Mestranol fa مسترانول zh 炔雌醇甲醚
🔖 Identifiers · 39
OpenAlex ID
C2779496863
CA PROP 65 ID
mestranol
CAS Registry Number
72-33-3
ChEBI ID
6784
ChEMBL ID
CHEMBL1201151
ChemSpider ID
6054
DSSTOX compound identifier
DTXCID20814
DSSTox substance ID
DTXSID0020814
DeCS ID
8833
DrugBank ID
DB01357
DrugCentral ID
1714
EC number
200-777-8
Show all 39 identifiers +27
ECHA Substance Infocard ID
100.000.707
Encyclopædia Britannica Online ID
science/mestranol
Freebase ID
/m/01xm8r_
Guide to Pharmacology Ligand ID
7087
HSDB ID
3588
Human Metabolome Database ID
HMDB0015446
InChI
InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey
IMSSROKUHAOUJS-MJCUULBUSA-N
Interlingual Index ID
i114511
KEGG ID
C07618, D00575
MeSH descriptor ID
D008656
MeSH tree code
D04.210.500.668.651.568.291.500, D06.472.334.851.437.968.500.500
Microsoft Academic ID (discontinued)
2779496863
NDF-RT ID
N0000146457
NSC number
84032, 757100
OSHA Occupational Chemical Database ID
872
PesticideInfo chemical ID
PRI4052
Probes And Drugs ID
PD003101
PubChem CID
6291
Reaxys registry number
2625905
RxNorm CUI
6782
SPLASH
splash10-01t9-1972000000-5e394201ba0e38e5391f
SureChEMBL ID
41391
UMLS CUI
C0025506
UNII
B2V233XGE7
UniChem compound ID
299296
WordNet 3.1 Synset ID
14775395-n

Report an error or request removal Lineage (PROV-JSON)

🔗 Connections
Subject has role 2
estrogen, carcinogen
Belongs to 1
mestranol/norethynodrel
Found in taxon 1
Cunninghamella elegans
Has use 1
medication
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Summary

mestranol is a type of chemical entity[1]. mestranol is a type of (13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol[2].

Key Facts

  • Canonical SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC[3]
  • Chemical formula: C₂₁H₂₆O₂[4]
  • Has use: medication[5]
  • Found in taxon: Cunninghamella elegans[6]
  • Isomeric SMILES: C[C@]12CC[C@H]3C@HCCC4=C3C=CC(=C4)OCC@HCCC4=C3C=CC(=C4)OC">[7]
  • Mass: 310.19328 dalton[8]
  • World Health Organisation international non-proprietary name: mestranol[9]
  • Subject has role: estrogen[10], carcinogen[11]
  • Stereoisomer of: (8R,9S,13S,14R,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol[12]

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [3] ↑ . PubChem. Retrieved . wikidata.org.
  2. [4] ↑ . PubChem. Retrieved . wikidata.org.
  3. [2] ↑ . wikidata.org.
  4. [5] ↑ . wikidata.org.
  5. [6] ↑ . Microbial transformation of mestranol by Cunninghamella elegans.. wikidata.org.
  6. [7] ↑ . PubChem. Retrieved . wikidata.org.
  7. [8] ↑ . PubChem. Retrieved . wikidata.org.
  8. [9] ↑ . ChEBI. Retrieved . wikidata.org.
  9. [10] ↑ . Medical Subject Headings. Retrieved . wikidata.org.
  10. [11] ↑ . California Proposition 65 list of chemicals. Retrieved . oehha.ca.gov. Provenance: wikidata.org.
  11. [12] ↑ . wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

📑 Cite this page

Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). mestranol. Retrieved November 2, 2026, from https://4ort.xyz/entity/mestranol
MLA “mestranol.” 4ort.xyz Knowledge Graph, 4ort.xyz, 2 Nov. 2026, https://4ort.xyz/entity/mestranol.
BibTeX @misc{4ortxyz_mestranol_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{mestranol}}, year = {2026}, url = {https://4ort.xyz/entity/mestranol}, note = {Accessed: 2026-11-02}}
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Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

  1. 19w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗
    Stereoisomer of → (8R,9S,13S,14R,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
    Instance of → type of chemical entity
    Has use → medication
    Subclass of → —
    + 6 other properties edited (see Wikidata diff for full list)
    "/* wbeditentity-update-languages-short:0||tr */ QuickStatements 3.0 [[:toollabs:qs-dev/batch/37300|batch #37300]]"
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