Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Application
A corticosteroid used in the treatment of skin disorders such as chronic eczema.
| Sonrisas canónicas | CC1CC2C3CC(C4=CC(=O)C(=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)Cl)F |
|---|---|
| IUPAC Name | (6S,8S,9R,10S,11S,13S,14S,16R,17R)-2-chloro-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| InChIKey | GGXMRPUKBWXVHE-MIHLVHIWSA-N |
| INCHI | 1S/C22H27ClF2O5/c1-10-4-11-12-5-15(24)13-6-16(27)14(23)7-19(13,2)21(12,25)17(28)8-20(11,3)22(10,30)18(29)9-26/h6-7,10-12,15,17,26,28,30H,4-5,8-9H2,1-3H3/t10-,11+,12+,15+,17+,19+,20+,21+,22+/m1/s1 |
| Isómeros SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C(=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)Cl)F |
| PubChem CID | 9846332 |
| Peso molecular | 444.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Clase | Steroids and steroid derivatives |
| Subclass | Hydroxysteroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 21-hydroxysteroids |
| Alternative Parents | Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 11-beta-hydroxysteroids 17-hydroxysteroids 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Tertiary alcohols Alpha-chloroketones Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Cyclic ketones Fluorohydrins Chloroalkenes Vinyl chlorides Organic oxides Organochlorides Alkyl fluorides Primary alcohols Hydrocarbon derivatives Organofluorides |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | 21-hydroxysteroid - Progestogin-skeleton - 20-oxosteroid - Pregnane-skeleton - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Oxosteroid - Halo-steroid - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - 9-halo-steroid - 2-halo-steroid - 6-halo-steroid - Delta-1,4-steroid - Tertiary alcohol - Cyclic alcohol - Alpha-hydroxy ketone - Alpha-chloroketone - Alpha-haloketone - Fluorohydrin - Cyclic ketone - Secondary alcohol - Halohydrin - Ketone - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Carbonyl group - Hydrocarbon derivative - Alkyl halide - Organooxygen compound - Alkyl fluoride - Alcohol - Primary alcohol - Aliphatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. |
| External Descriptors | Not available |
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| Índice de refracción | 1.586 |
|---|---|
| Punto de inflamación (°C) | 316.99 ºC |
| Punto de ebullición (°C) | 600.53 ºC at 760 mmHg |
| Punto de fusión (°C) | 125-130 °C(lit.) |
| Peso molecular | 444.900 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 444.152 Da |
| Monoisotopic Mass | 444.152 Da |
| Topological Polar Surface Area | 94.800 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 889.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |