| SpectraBase Compound ID | 4hBqPx21XC4 |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h7,13,16-17,23H,6,8-12H2,1-5H3/t16-,17+,20+,21+/m0/s1 |
| InChIKey | MNVNTVWDBWQQCE-XWDORNJCSA-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 | L0nyIS9pcDV |
|---|---|
| Name | (1R,4aR,4bR,10aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h7,13,16-17,23H,6,8-12H2,1-5H3/t16-,17+,20+,21+/m0/s1 |
| InChIKey | MNVNTVWDBWQQCE-XWDORNJCSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | OC(C=1CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CCC[C@]1(C(=O)OC)C)C)[H])[H])(C)C |
| SPLASH | splash10-052r-1591000000-2dcf088886253c733c82 |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | (1R,4aR,4bR,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate Methyl (1R,4aR,4bR,10aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate Methyl (1R,4aR,4bR,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate |
| Wiley ID | 740171 |