| SpectraBase Compound ID | K2sx5kQVLCy |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-19(12-13-22)11-8-15-14(17(19)23)6-7-16-20(15,2)9-5-10-21(16,3)18(24)25-4/h14-17,22-23H,5-13H2,1-4H3/t14-,15-,16?,17+,19+,20+,21+/m0/s1 |
| InChIKey | LZAYSNPUUISRRS-PJTFVGINSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IPx1ZUtbMSv |
|---|---|
| Name | Methyl 14.alpha.,16-dihydroxyandrostan-18-isopimarate |
| Alternate Name(s) | Methyl (1R,4aR,4bS,7R,8R,8aS)-8-hydroxy-7-(2-hydroxyethyl)-1,4a,7-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate Methyl (1R,4aR,4bS,7R,8R,8aS)-7-(2-hydroxyethyl)-1,4a,7-trimethyl-8-oxidanyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-19(12-13-22)11-8-15-14(17(19)23)6-7-16-20(15,2)9-5-10-21(16,3)18(24)25-4/h14-17,22-23H,5-13H2,1-4H3/t14-,15-,16?,17+,19+,20+,21+/m0/s1 |
| InChIKey | LZAYSNPUUISRRS-PJTFVGINSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | OCC[C@]1(CC[C@]2([C@@]([C@]1(O)[H])(CCC1[C@@]2(CCC[C@]1(C(=O)OC)C)C)[H])[H])C |
| SPLASH | splash10-00di-2900000000-829287ed54da075495e7 |
| Source of Spectrum | Y4-84-74-2 |
| Wiley ID | 1550060 |