for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SC |
|---|---|
| IUPAC Name | [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-methylsulfanylcarbonyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate |
| InChIKey | DRXCUKXWTNOXTD-CENSZEJFSA-N |
| INCHI | 1S/C25H32F2O5S/c1-6-20(30)32-25(21(31)33-5)13(2)9-15-16-11-18(26)17-10-14(28)7-8-22(17,3)24(16,27)19(29)12-23(15,25)4/h7-8,10,13,15-16,18-19,29H,6,9,11-12H2,1-5H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1 |
| Isomeric SMILES | CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SC |
| PubChem CID | 11317660 |
| Molecular Weight | 482.58 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Steroid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Steroid esters |
| Alternative Parents | Androgens and derivatives 11-beta-hydroxysteroids 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Thioesters Secondary alcohols Carbothioic S-esters Carboxylic acid esters Cyclic alcohols and derivatives Cyclic ketones Fluorohydrins Sulfenyl compounds Monocarboxylic acids and derivatives Organofluorides Alkyl fluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Steroid ester - Androgen-skeleton - Androstane-skeleton - 3-oxosteroid - Hydroxysteroid - 6-halo-steroid - 9-halo-steroid - Oxosteroid - 3-oxo-delta-1,4-steroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - Halo-steroid - Delta-1,4-steroid - Cyclic alcohol - Halohydrin - Secondary alcohol - Ketone - Carboxylic acid ester - Thiocarboxylic acid ester - Fluorohydrin - Cyclic ketone - Carbothioic s-ester - Sulfenyl compound - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Organosulfur compound - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organofluoride - Organohalogen compound - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group. |
| External Descriptors | Not available |
| Molecular Weight | 482.600 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 482.194 Da |
| Monoisotopic Mass | 482.194 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 964.000 |
| 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 |
