| SpectraBase Compound ID | zraNUoiJ0J |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-13-14-6-10-21(23)19(2,8-5-9-20(21,3)18(22)24-4)16(14)12-17-15(13)7-11-25-17/h7,11,13-14,16,23H,5-6,8-10,12H2,1-4H3/t13-,14+,16+,19-,20-,21+/m1/s1 |
| InChIKey | GMCXIFIKPROBFX-ZOJTVGBFSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BayYFEoAuOb |
|---|---|
| Name | Caesaldekarin C |
| Alternate Name(s) | Methyl (4S,4aS,6aS,7R,11aS,11bR)-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylate Methyl (4S,4aS,6aS,7R,11aS,11bR)-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f]benzofuran-4-carboxylate Methyl (4S,4aS,6aS,7R,11aS,11bR)-4,7,11b-trimethyl-4a-oxidanyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-13-14-6-10-21(23)19(2,8-5-9-20(21,3)18(22)24-4)16(14)12-17-15(13)7-11-25-17/h7,11,13-14,16,23H,5-6,8-10,12H2,1-4H3/t13-,14+,16+,19-,20-,21+/m1/s1 |
| InChIKey | GMCXIFIKPROBFX-ZOJTVGBFSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | O[C@@]12[C@@](C(=O)OC)(CCC[C@@]2([C@]2(Cc3occc3[C@@]([C@@]2(CC1)[H])(C)[H])[H])C)C |
| SPLASH | splash10-052b-0902000000-f95d0247e327887b9a79 |
| Source of Spectrum | E1-44-1160-3 |
| Wiley ID | 1553410 |