Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% 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 | CC12CCC(=O)C=C1CC(C3C2C(CC4(C3CCC45CCC(=O)O5)C)O)C(=O)OC |
|---|---|
| IUPAC Name | methyl (7R,8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate |
| InChIKey | ZYDNRZOTRVTMRC-IIYDDONESA-N |
| INCHI | 1S/C24H32O6/c1-22-7-4-14(25)10-13(22)11-15(21(28)29-3)19-16-5-8-24(9-6-18(27)30-24)23(16,2)12-17(26)20(19)22/h10,15-17,19-20,26H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,20+,22+,23+,24-/m1/s1 |
| Isomeric SMILES | C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)O)C(=O)OC |
| PubChem CID | 637221 |
| Molecular Weight | 416.51 |
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 lactones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Spironolactones and derivatives |
| Alternative Parents | 3-oxo delta-4-steroids 11-alpha-hydroxysteroids Delta-4-steroids Cyclohexenones Gamma butyrolactones Dicarboxylic acids and derivatives Tetrahydrofurans Methyl esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Spironolactone - 3-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 11-hydroxysteroid - 11-alpha-hydroxysteroid - Delta-4-steroid - Cyclohexenone - Dicarboxylic acid or derivatives - Gamma butyrolactone - Cyclic alcohol - Methyl ester - Tetrahydrofuran - Lactone - Ketone - Cyclic ketone - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Alcohol - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as spironolactones and derivatives. These are steroid lactones with a structure based on the spironolactone skeleton. |
| External Descriptors | Not available |
| Molecular Weight | 416.500 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 416.22 Da |
| Monoisotopic Mass | 416.22 Da |
| Topological Polar Surface Area | 89.900 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 847.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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 |