Basic information
- CAS
72-23-1- Standard SMILES
CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C(C(=O)CO)CCC12- InChIKey
FUFLCEKSBBHCMO-UHFFFAOYSA-N- Molecular formula
- C21H28O4
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.19875937
Names & identifiers
- Preferred name
- 21-Hydroxypregn-4-ene-3,11-20-trione
- IUPAC
- 17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
- English name
- 11-Dehydrocorticosterone
- Molecular formula
- C21H28O4
- Molecular weight
- 344.44
Names & synonyms
Dehydrocortocicosterone11-Dehydrocorticosteron21-Hydroxypregn-4-ene-3,11-20-trioneSCHEMBL13026136NSC9702PD133480Pregn-4-ene-3,20-trione, 21-hydroxy-Pregn-4-ene-3,11,20-trione, 21-hydroxy-NSC-970211-OxocorticosteroneKENDALL'S COMPOUND AKendall’S Compound ‘A’
Show more names
KENDALL'S COMPOUND ''A''11-Dehydrocorticosterone4-PREGNEN-21-OL-3,11,20-TRIONE4-Pregene-21-ol-3,11,20-trione
Database identifiers
- CAS
72-23-1- PubChem CID
- 6290
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 677
Physicochemical properties
- Melting point
- 183.5 °C · 183.5°C
- Boiling point
- 399.53 °C · 399.53°C (rough estimate)
- Density
- 1.0556 · 1.0556 (rough estimate)
- refractive index
- 1.443 · 1.4430 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Dioxane (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.95 · 12.95±0.10(Predicted)
- color
- White to Pale Yellow
- optical activity
- 34725 · +34725 (c 0.23, C6H6)
- FDA UNII
- 4 V44A3G3 · FO4V44A3G3
Chemistry & industry
Applications
Uses11-Dehydrocorticosterone is a precursor to corticosterone (C695700), converted by 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) which plays a role in glucocorticoid-induced insulin resistance.
Upstream & downstream products
Upstream raw materials
Suppliers16 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Aladdin Scientific[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
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上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Additional notes
DefinitionChEBI: An 11-oxo steroid that is corticosterone in which the hydroxy substituent at the 11beta position has been oxidised to give the corresponding ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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