Pregnanetriolone
(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
Also Known As: Pregnanetriolone|11-Ketopregnanetriol|11-Keto-pregnanetriol|3-(diethylamino)propanoic acid|KST-1A6472|5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one|5alpha,17alpha,20alpha-triol-11-one|3alpha,17alpha,20alpha-Trihydroxy-5beta-pregnan-11-one|Pregnane-3alpha,17alpha,20alpha-triol-11-one|Pregnane-3.alpha.,20.alpha.-triol-11-one|(3|A,5|A,20s)-3,17,20-trihydroxypregnan-11-one|3alpha,17,20-Trihydroxy-5beta-pregnan-11-one|5beta-Pregnan-11-one, 3alpha,17,20alpha-trihydroxy-|(3alpha,5beta,20S)-3,17,20-Trihydroxypregnan-11-one|3alpha,17,20alpha-Trihydroxy-5beta-pregnan-11-one|5.beta.-Pregnan-11-one,17,20.alpha.-trihydroxy-|3,17,20-Trihydroxypregnan-11-one (ACD/Name 4.0)|5.beta.-Pregnan-11-one, 3.alpha.,17,20.alpha.-trihydroxy-|5.beta.-Pregnane-3.alpha.,20.alpha.-triol-11-one|(20S)-3alpha,17,20-Trihydroxy-5beta-pregnan-11-one|(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one|11-KETO-PREGNANE-3.ALPHA.,17,20.ALPHA.-TRIOL|3.alpha.,20.alpha.-Trihydroxy-5.beta.-pregnan-11-one|Pregnan-11-one, 3,17,20-trihydroxy-, (3alpha,5beta,20S)-|Pregnan-11-one, 3,17,20-trihydroxy-, (3.alpha.,5.beta.,20S)-|3.|A.,17.|A.,20.|A.-Trihydroxy-5.|A.-pregnan-11-one|5.beta.-Pregnane-3.alpha.,17.alpha.,20.alpha.-triol-11-one|3.alpha.,17.alpha.,20.alpha.-Trihydroxy-5.beta.-pregnan-11-one|Pregnan-11-one,17,20-trihydroxy-, (3.alpha.,5.beta.,20S)-|5.BETA.-PREGNAN-3.ALPHA.,17.ALPHA.,20.ALPHA.-TRIOL-11-ONE
| Molecular Formula | C21H34O4 |
|---|---|
| Molecular Weight | 350.2457 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.2457 |
| Monoisotopic Mass | 350.2457 |
| Heavy Atoms | 25 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 6084-44-2 |
|---|---|
| SMILES | C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O)O |
| InChIKey | WKFXHNDWEHDGQD-ZQRGSSBZSA-N |
Product Overview
Pregnanetriolone (CAS 6084-44-2), with molecular formula C21H34O4 and molecular weight 350.2457 g/mol. IUPAC: (3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one.
Pregnanetriolone is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »