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| Synonyms | 16-Dehydroprogesterone | Pregna-4,16-diene-3,20-dione | 1096-38-4 | 16,17-Didehydroprogesterone | 3,20-Dioxopregna-4,16-diene | 4,16-Pregnadiene-3,20-dione | .DELTA.16-Progesterone | NSC 11037 | 16-?Dehydroprogesterone | delta4,16-Pregnadiene-3,20-dione | JU0YQ9DZ2O | Delta(4, |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Biochemical and Physiological Mechanisms | 16-Dehydroprogesterone is a chemical derived from a progesterone. |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Information 16-Dehydroprogesterone is a chemical derived from a progesterone. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Oxosteroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 20-oxosteroids |
| Alternative Parents | Androgens and derivatives 3-oxosteroids Cyclohexenones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | 20-oxosteroid - Androgen-skeleton - Androstane-skeleton - 3-oxosteroid - Cyclohexenone - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton. |
| External Descriptors | C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives |
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| IUPAC Name | (8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one |
|---|---|
| INCHI | InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1 |
| InChIKey | VRRHHTISESGZFN-RKFFNLMFSA-N |
| Smiles | CC(=O)C1=CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
| Isomeric SMILES | CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C |
| Molecular Weight | 312.45 |
| Reaxy-Rn | 2061766 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2061766&ln= |
| Molecular Weight | 312.400 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 312.209 Da |
| Monoisotopic Mass | 312.209 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 640.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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 |