for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| ALogP | 2.8 |
|---|
| Canonical Smiles | O[C@@H]1C[C@@]2([H])[C@@](CC1)(C)[C@]3([H])[C@](C[C@@H]2O)([H])[C@@]4([H])[C@@](CC3)(C)[C@@H](O)CC4 |
|---|---|
| IUPAC Name | (3S,5S,6S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,17-triol |
| InChIKey | OFAZPSYXUKIJIK-JGRZZSDMSA-N |
| INCHI | 1S/C19H32O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13-,14-,15+,16-,17-,18+,19-/m0/s1 |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O |
| Alternate CAS | 49644-04-4 |
| PubChem CID | 170796 |
| MeSH Entry Terms | (3alpha,5alpha,6beta,17beta)-isomer of androstane-3,6,17-triol;(3beta,5alpha,6beta,17beta)-isomer of androstane-3,6,17-triol;3 beta,6 alpha,17 beta-trihydroxy-5 alpha-androstane;5 alpha-androstane-3 beta,6 alpha,17 beta-triol;6 alpha-triol;androstane-3,6, |
| Molecular Weight | 308.5 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Androstane steroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Androgens and derivatives |
| Alternative Parents | 6-hydroxysteroids 3-beta-hydroxysteroids 17-hydroxysteroids Secondary alcohols Cyclic alcohols and derivatives Polyols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Androgen-skeleton - 17-hydroxysteroid - 3-beta-hydroxysteroid - Hydroxysteroid - 6-hydroxysteroid - 3-hydroxysteroid - Cyclic alcohol - Secondary alcohol - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. |
| External Descriptors | triol - 3beta-sterol - 6alpha-hydroxy steroid - 17beta-hydroxy steroid |
| Molecular Weight | 308.500 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 308.235 Da |
| Monoisotopic Mass | 308.235 Da |
| Topological Polar Surface Area | 60.700 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 452.000 |
| 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 |
![(1S,3aS,3bR,5S,5aS,7S,9aR,9bS,11aS)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,5,7-triol - CAS No(49644-04-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/6/S669747.jpg)