![Des-A,B-18-[2-(methoxycarbonyl)ethyl]-20-methylpregn-20-en-8-one](/api/spectrum/7m09eiTXvT4/structure.png?h=300&w=458 "Des-A,B-18-[2-(methoxycarbonyl)ethyl]-20-methylpregn-20-en-8-one")
| SpectraBase Compound ID | CdDufIHPI8n |
|---|---|
| InChI | InChI=1S/C17H26O3/c1-12(2)13-8-9-14-15(18)6-4-10-17(13,14)11-5-7-16(19)20-3/h13-14H,1,4-11H2,2-3H3/t13-,14+,17+/m1/s1 |
| InChIKey | FAANOFAUYSVKQQ-KEYYUXOJSA-N |
| Mol Weight | 278.39 g/mol |
| Molecular Formula | C17H26O3 |
| Exact Mass | 278.188195 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7m09eiTXvT4 |
|---|---|
| Name | Des-A,B-18-[2-(methoxycarbonyl)ethyl]-20-methylpregn-20-en-8-one |
| Alternate Name(s) | 4-[(3R,3aS,7aR)-3-(1-methylethenyl)-7-oxo-2,3,4,5,6,7a-hexahydro-1H-inden-3a-yl]butanoic acid methyl ester Methyl 4-[(3R,3aS,7aR)-7-oxo-3-prop-1-en-2-yl-2,3,4,5,6,7a-hexahydro-1H-inden-3a-yl]butanoate Methyl 4-[(3R,3aS,7aR)-3-isopropenyl-7-oxo-2,3,4,5,6,7a-hexahydro-1H-inden-3a-yl]butanoate Methyl 4-[(3R,3aS,7aR)-7-oxidanylidene-3-prop-1-en-2-yl-2,3,4,5,6,7a-hexahydro-1H-inden-3a-yl]butanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H26O3 |
| InChI | InChI=1S/C17H26O3/c1-12(2)13-8-9-14-15(18)6-4-10-17(13,14)11-5-7-16(19)20-3/h13-14H,1,4-11H2,2-3H3/t13-,14+,17+/m1/s1 |
| InChIKey | FAANOFAUYSVKQQ-KEYYUXOJSA-N |
| Molecular Weight | 278.392 g/mol |
| SMILES | [C@]12([C@@](CC[C@@]2(C(=C)C)[H])(C(=O)CCC1)[H])CCCC(=O)OC |
| SPLASH | splash10-004i-0930000000-26af2ba879c1815a6d69 |
| Source of Spectrum | J-67-4712-16 |
| Wiley ID | 1570233 |