| Identification |
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| Common Name | 3-ethoxypregna-3,5-diene-21,17a-carbolactone |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C24H34O3 |
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| Average Molecular Mass | 370.533 g/mol |
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| Monoisotopic Mass | 370.251 g/mol |
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| CAS Registry Number | 2649-76-5 |
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| IUPAC Name | (1'S,2R,2'R,10'R,11'S,15'S)-5'-ethoxy-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane]-5',7'-dien-5-one |
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| Traditional Name | (1'S,2R,2'R,10'R,11'S,15'S)-5'-ethoxy-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane]-5',7'-dien-5-one |
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| SMILES | [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C=C(CC[C@]12C)OCC |
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| InChI Identifier | InChI=1S/C24H34O3/c1-4-26-17-7-11-22(2)16(15-17)5-6-18-19(22)8-12-23(3)20(18)9-13-24(23)14-10-21(25)27-24/h5,15,18-20H,4,6-14H2,1-3H3/t18-,19+,20+,22+,23+,24-/m1/s1 |
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| InChI Key | PFOMZLRVGKNKCE-PXFMPXEPSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as steroids and steroid derivatives. Steroids and steroid derivatives are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. |
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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 | Not Available |
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| Direct Parent | Steroids and steroid derivatives |
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| Alternative Parents | |
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| Substituents | - Steroid
- Gamma butyrolactone
- Tetrahydrofuran
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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