≥85% 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 | CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+] |
|---|---|
| IUPAC Name | sodium;[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate |
| InChIKey | QTTMOCOWZLSYSV-QWAPEVOJSA-M |
| INCHI | 1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1 |
| Isomeric SMILES | C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])[C@@H]1CCC2=O.[Na+] |
| PubChem CID | 23676225 |
| Molecular Weight | 370.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Sulfated steroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfated steroids |
| Alternative Parents | 17-oxosteroids Delta-7-steroids Phenanthrenes and derivatives Naphthalenes Arylsulfates Sulfuric acid monoesters Ketones Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Sulfated steroid skeleton - 17-oxosteroid - Oxosteroid - Delta-7-steroid - Phenanthrene - Naphthalene - Arylsulfate - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Ketone - Organic alkali metal salt - Organic sodium salt - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. |
| External Descriptors | steroid sulfate |
| Molecular Weight | 370.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 370.085 Da |
| Monoisotopic Mass | 370.085 Da |
| Topological Polar Surface Area | 91.900 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 682.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 | 2 |
