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Basic Description
| Synonyms | Q-102810 | AKOS015895689 | (17beta)-3-Oxoestra-4,6-dien-17-yl acetate | MFCD00271529 | [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate | 6-Dehydronandrolone acetate | (17 beta)-17-(a |
|---|---|
| Specifications & Purity | ≥98% |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
- Subclass Steroid esters
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Steroid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Steroid esters |
| Alternative Parents | Estrogens and derivatives 3-oxosteroids Cyclohexenones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Steroid ester - Estrogen-skeleton - Oxosteroid - Estrane-skeleton - 3-oxosteroid - Cyclohexenone - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - 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 steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488197151 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488197151 |
| IUPAC Name | [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate |
| INCHI | InChI=1S/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h3,5,11,15-19H,4,6-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1 |
| InChIKey | OGUASZAAVFYYIL-XGXHKTLJSA-N |
| Smiles | CC(=O)OC1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34)C |
| Isomeric SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@H]34)C |
| Reaxy-Rn | 3425278 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3425278&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2330821 |
Certificate of Analysis | Nov 29, 2022 | D404097 |
| A2331098 |
Certificate of Analysis | Nov 29, 2022 | D404097 |
| A2331099 |
Certificate of Analysis | Nov 25, 2022 | D404097 |
| A2330820 |
Certificate of Analysis | Nov 25, 2022 | D404097 |
| A2331129 |
Certificate of Analysis | Nov 25, 2022 | D404097 |
Chemical and Physical Properties
| Melt Point(°C) | 106.0-110.0 °C |
|---|---|
| Molecular Weight | 314.400 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 314.188 Da |
| Monoisotopic Mass | 314.188 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 602.000 |
| 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 |
Solution Calculators
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