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.
| Pubchem Sid | 504753953 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753953 |
| Sourires canoniques | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@H]3CC[C@]12C |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-thiol |
| InChIKey | QGVQZRDQPDLHHV-DPAQBDIFSA-N |
| INCHI | 1S/C27H46S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| Isomères SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)S)C)C |
| WGK Allemagne | 3 |
| PubChem CID | 65075 |
| Poids moléculaire | 402.72 |
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 |
| Classe | Steroids and steroid derivatives |
| Subclass | Cholestane steroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cholestane steroids |
| Alternative Parents | Delta-5-steroids Alkylthiols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Cholestane-skeleton - Delta-5-steroid - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Article |
|---|---|---|---|
 I2519684 | Certificate of Analysis | Mar 26, 2025 | T166721 |
| I2519685 | Certificate of Analysis | Mar 26, 2025 | T166721 |
| C2522005 | Certificate of Analysis | Jun 29, 2024 | T166721 |
| G2409307 | Certificate of Analysis | Jun 29, 2024 | T166721 |
| G2409308 | Certificate of Analysis | Jun 29, 2024 | T166721 |
| C2422072 | Certificate of Analysis | Jul 29, 2022 | T166721 |
| H2231847 | Certificate of Analysis | Jul 29, 2022 | T166721 |
| H2231848 | Certificate of Analysis | Jul 29, 2022 | T166721 |
| B2215821 | Certificate of Analysis | Jan 10, 2022 | T166721 |
| B2215822 | Certificate of Analysis | Jan 10, 2022 | T166721 |
| Rotation spécifique [α] | [α]20/D −23°, c = 1 in chloroform |
|---|---|
| Point de fusion (°C) | 97-99 °C (lit.) |
| Poids moléculaire | 402.700 g/mol |
| XLogP3 | 9.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 402.332 Da |
| Monoisotopic Mass | 402.332 Da |
| Topological Polar Surface Area | 1.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 591.000 |
| 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 |
