| SpectraBase Compound ID | IUOLsBUNfKZ |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-6-19(2)13-14-8-9-16-20(3,15(14)12-17(19)22)10-7-11-21(16,4)18(23)24-5/h6,16-17,22H,1,7-13H2,2-5H3/t16-,17-,19+,20-,21+/m1/s1 |
| InChIKey | XBMXOPQBLGZKQK-SYGLAOGMSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KRpZUoAcWxQ |
|---|---|
| Name | (1S,4aS,6R,7R,10aR)-6-hydroxy-1,4a,7-trimethyl-7-vinyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester |
| Alternate Name(s) | (1S,4aS,6R,7R,10aR)-7-ethenyl-6-hydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl (1S,4aS,6R,7R,10aR)-6-hydroxy-1,4a,7-trimethyl-7-vinyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Methyl (1S,4aS,6R,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-6-oxidanyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Methyl (1S,4aS,6R,7R,10aR)-7-ethenyl-6-hydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-6-19(2)13-14-8-9-16-20(3,15(14)12-17(19)22)10-7-11-21(16,4)18(23)24-5/h6,16-17,22H,1,7-13H2,2-5H3/t16-,17-,19+,20-,21+/m1/s1 |
| InChIKey | XBMXOPQBLGZKQK-SYGLAOGMSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | O[C@]1([C@](C=C)(C)CC2=C([C@@]3([C@@]([C@](C(=O)OC)(C)CCC3)([H])CC2)C)C1)[H] |
| SPLASH | splash10-0a4v-8962000000-72910caabcd784b6d02a |
| Source of Spectrum | F-47-4456-15 |
| Wiley ID | 1329827 |