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.
| カノニカル・スマイル | CC12CCC3C(C1CC(C2(C#C)O)O)CCC4=C3C=CC(=C4)OC5CCCC5 |
|---|---|
| IUPAC Name | (8R,9S,13S,14S,16R,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol |
| InChIKey | CHZJRGNDJLJLAW-RIQJQHKOSA-N |
| INCHI | 1S/C25H32O3/c1-3-25(27)23(26)15-22-21-10-8-16-14-18(28-17-6-4-5-7-17)9-11-19(16)20(21)12-13-24(22,25)2/h1,9,11,14,17,20-23,26-27H,4-8,10,12-13,15H2,2H3/t20-,21-,22+,23-,24+,25+/m1/s1 |
| 異性体SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@]2(C#C)O)O)CCC4=C3C=CC(=C4)OC5CCCC5 |
| PubChem CID | 38346 |
| 分子量 | 380.52 |
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 |
| 分類 | Steroids and steroid derivatives |
| Subclass | Estrane steroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Estrane steroids |
| Alternative Parents | 17-hydroxysteroids 16-alpha-hydroxysteroids Phenanthrenes and derivatives Tetralins Alkyl aryl ethers Ynones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives 1,2-diols Acetylides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Estrane-skeleton - Hydroxysteroid - 16-alpha-hydroxysteroid - 16-hydroxysteroid - 17-hydroxysteroid - Phenanthrene - Tetralin - Alkyl aryl ether - Ynone - Benzenoid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - 1,2-diol - Ether - Acetylide - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic homopolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton. |
| External Descriptors | Not available |
| 分子量 | 380.500 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 380.235 Da |
| Monoisotopic Mass | 380.235 Da |
| Topological Polar Surface Area | 49.700 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 645.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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 |
