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Basic Description
| Synonyms | 16a,17a-Epoxy-4-Pregnen-3,20-Dione | 16alpha,17alpha-Epoxy-4-pregnen-3,20-dione | F2DR02G069 | HMS2090P21 | 16.ALPHA.,17-EPOXYPREGN-4-ENE-3,20-DIONE | Pregn-4-ene-3,20-dione, 16-alpha,17-epoxy- | 16.ALPHA.,17.ALPHA.-EPOXYPROGESTERONE | 16.ALPHA.,17.ALPHA. |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
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 Pregnane steroids
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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 | Pregnane steroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Gluco/mineralocorticoids, progestogins and derivatives |
| Alternative Parents | 20-oxosteroids 3-oxo delta-4-steroids Delta-4-steroids Naphthopyrans Naphthalenes Cyclohexenones Pyrans Oxanes Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - Naphthopyran - Naphthalene - Cyclohexenone - Pyran - Oxane - Ketone - Cyclic ketone - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. |
| External Descriptors | corticosteroid hormone |
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Associated Targets(Human)
CYP17A1
Tclin
Steroid 17-alpha-hydroxylase/17,20 lyase (2 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
PGR
Tclin
Progesterone receptor (8562 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP17A1
Tclin
Cytochrome P450 17A1 (3627 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488187283 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187283 |
| IUPAC Name | (1R,2S,4R,6S,7S,10S,11R)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-14-one |
| INCHI | InChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1 |
| InChIKey | LHNVKVKZPHUYQO-SRWWVFQWSA-N |
| Smiles | CC(=O)C12C(O1)CC3C2(CCC4C3CCC5=CC(=O)CCC45C)C |
| Isomeric SMILES | CC(=O)[C@]12[C@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C |
| Molecular Weight | 328.45 |
| Reaxy-Rn | 314535 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=314535&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 |
|---|---|---|---|
 D2311989 |
Certificate of Analysis | Feb 28, 2023 | E189656 |
| D2311979 |
Certificate of Analysis | Feb 28, 2023 | E189656 |
| D2311967 |
Certificate of Analysis | Feb 28, 2023 | E189656 |
| D2311949 |
Certificate of Analysis | Feb 28, 2023 | E189656 |
| D2311971 |
Certificate of Analysis | Feb 28, 2023 | E189656 |
| D2311964 |
Certificate of Analysis | Feb 28, 2023 | E189656 |
| D23111020 |
Certificate of Analysis | Feb 28, 2023 | E189656 |
| D2311986 |
Certificate of Analysis | Feb 28, 2023 | E189656 |
Chemical and Physical Properties
| Molecular Weight | 328.400 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 328.204 Da |
| Monoisotopic Mass | 328.204 Da |
| Topological Polar Surface Area | 46.700 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 679.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| 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
Reviews
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