![(8.beta.)-Des-A,B-18-[2-(methoxycarbonyl)ethyl]-20-methylpregn-20-en-8-ol](/api/spectrum/CocCs8Cb7zd/structure.png?h=300&w=458 "(8.beta.)-Des-A,B-18-[2-(methoxycarbonyl)ethyl]-20-methylpregn-20-en-8-ol")
| SpectraBase Compound ID | 7nrgILCwFuO |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-12(2)13-8-9-14-15(18)6-4-10-17(13,14)11-5-7-16(19)20-3/h13-15,18H,1,4-11H2,2-3H3/t13-,14+,15+,17+/m1/s1 |
| InChIKey | NYGPCOVWLKZULR-AESZEHBQSA-N |
| Mol Weight | 280.41 g/mol |
| Molecular Formula | C17H28O3 |
| Exact Mass | 280.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CocCs8Cb7zd |
|---|---|
| Name | (8.beta.)-Des-A,B-18-[2-(methoxycarbonyl)ethyl]-20-methylpregn-20-en-8-ol |
| Alternate Name(s) | 4-[(3R,3aS,7S,7aR)-7-hydroxy-3-(1-methylethenyl)-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]butanoic acid methyl ester Methyl 4-[(3R,3aS,7S,7aR)-7-hydroxy-3-prop-1-en-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]butanoate Methyl 4-[(3R,3aS,7S,7aR)-7-hydroxy-3-isopropenyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]butanoate Methyl 4-[(3R,3aS,7S,7aR)-7-oxidanyl-3-prop-1-en-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]butanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H28O3 |
| InChI | InChI=1S/C17H28O3/c1-12(2)13-8-9-14-15(18)6-4-10-17(13,14)11-5-7-16(19)20-3/h13-15,18H,1,4-11H2,2-3H3/t13-,14+,15+,17+/m1/s1 |
| InChIKey | NYGPCOVWLKZULR-AESZEHBQSA-N |
| Molecular Weight | 280.408 g/mol |
| SMILES | O[C@@]1([C@]2([C@]([C@](CC2)(C(=C)C)[H])(CCCC(=O)OC)CCC1)[H])[H] |
| SPLASH | splash10-014i-0960000000-0a3e99bca9964d2f4666 |
| Source of Spectrum | J-67-4712-15 |
| Wiley ID | 1570234 |