3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione

chemical compound

ChemicalSubstance group_of_stereoisomers Q27105494

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Key Facts

Canonical SMILES: CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4C(=O)CO)C)O^[1]
Chemical formula: C₂₁H₃₂O₄^[2]
Subclass of: chemical compound^[3]
Isomeric SMILES: CC12CCC@HO^C@HO">[4]
Mass: 348.23006 dalton^[5]

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Quick Facts

Instance of group of stereoisomers

Subclass of chemical compound

Properties

Canonical smiles CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4C(=O)CO)C)O

Chemical formula C₂₁H₃₂O₄

Isomeric smiles CC12CC[C@H](CC1CCC3C2C(=O)CC4(C3CCC4C(=O)CO)C)O

Mass +348.23006

External References (12)

Cas registry number 566-03-0

Chebi id 1690

Chemspider id 389574

Ec number 209-295-2

Echa substance infocard id 100.008.451

Inchi InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,19?,20?,21?/m1/s1

Inchikey XWYBFXIUISNTQG-LWBRKPSMSA-N

Kegg id C05478

Nsc number 11574

Pubchem cid 440698

Surechembl id 30555809

Unichem compound id 1072060

🏷️ Also known as

en 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione en 5beta-Pregnane-3alpha,21-diol-11,20-dione

References

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

Direct Wikidata claims

[1] ↑ 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione — canonical SMILES (P233): CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4C(=O)CO)C)O. PubChem. Retrieved 2016-10-05. wikidata.org.
[2] ↑ 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione — chemical formula (P274): C₂₁H₃₂O₄. PubChem. Retrieved 2016-10-05. wikidata.org.
[3] ↑ 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione — subclass of (P279): chemical compound. wikidata.org.
[4] ↑ 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione — isomeric SMILES (P2017): CC12CC[C@H](CC1CCC3C2C(=O)CC4(C3CCC4C(=O)CO)C)O. PubChem. Retrieved 2016-10-05. wikidata.org.
[5] ↑ 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione — mass (P2067): 348.23006 dalton. PubChem. Retrieved 2016-10-05. 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). 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione. Retrieved May 3, 2026, from https://4ort.xyz/entity/3alpha-21-dihydroxy-5beta-pregnane-11-20-dione

MLA

“3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/3alpha-21-dihydroxy-5beta-pregnane-11-20-dione.

BibTeX

@misc{4ortxyz_3alpha-21-dihydroxy-5beta-pregnane-11-20-dione_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione}}, year = {2026}, url = {https://4ort.xyz/entity/3alpha-21-dihydroxy-5beta-pregnane-11-20-dione}, note = {Accessed: 2026-05-03}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione — https://4ort.xyz/entity/3alpha-21-dihydroxy-5beta-pregnane-11-20-dione (retrieved 2026-05-03)

Canonical URL: https://4ort.xyz/entity/3alpha-21-dihydroxy-5beta-pregnane-11-20-dione · Last refreshed: May 3, 2026

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.

17w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Echa substance infocard id → 100.008.451

Imported from → —

Kegg id → C05478

Instance of → group of stereoisomers

+ 16 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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