| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:39:38 UTC |
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| Update Date | 2020-04-22 15:06:15 UTC |
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| BMDB ID | BMDB0000995 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 16-Dehydroprogesterone |
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| Description | 16-Dehydroprogesterone, also known as delta.16-progesterone, 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. Thus, 16-dehydroprogesterone is considered to be a steroid. Based on a literature review a small amount of articles have been published on 16-Dehydroprogesterone. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 3,20-Dioxopregna-4,16-diene | ChEBI | | Delta(4,16)-Pregnadiene-3,20-dione | ChEBI | | 16,17-Didehydroprogesterone | Kegg | | Δ(4,16)-pregnadiene-3,20-dione | Generator | | 4,16-Pregnadiene-3,20-dione | HMDB | | D16-Progesterone | HMDB | | D4,16-Pregnadiene-3,20-dione | HMDB | | Delta.16-progesterone | HMDB | | Delta4,16-Pregnadiene-3,20-dione | HMDB | | Pregna-4,16-diene-3,20-dione | HMDB | | delta(16)-Progesterone | HMDB | | 16-Dehydroprogesterone | ChEBI |
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| Chemical Formula | C21H28O2 |
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| Average Molecular Weight | 312.4458 |
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| Monoisotopic Molecular Weight | 312.20893014 |
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| IUPAC Name | (1S,2R,10R,11S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-6,13-dien-5-one |
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| Traditional Name | (1S,2R,10R,11S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-6,13-dien-5-one |
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| CAS Registry Number | 1096-38-4 |
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| SMILES | [H][C@@]12CC=C(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |
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| InChI Identifier | 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 |
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| InChI Key | VRRHHTISESGZFN-RKFFNLMFSA-N |
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| Chemical Taxonomy |
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| Description | 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. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Oxosteroids |
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| Direct Parent | 20-oxosteroids |
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| Alternative Parents | |
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| 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
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 185 - 187 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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