| SpectraBase Compound ID | DYUgsY9qEuF |
|---|---|
| InChI | InChI=1S/C24H38O6/c1-13(25)28-20-18-15(27)12-17-23(5)10-7-9-22(3,4)16(23)8-11-24(17,6)19(18)21(30-20)29-14(2)26/h15-21,27H,7-12H2,1-6H3/t15-,16?,17?,18-,19+,20-,21+,23+,24-/m1/s1 |
| InChIKey | YHQPTXXDIPLCDA-KKMVSXKPSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C24H38O6 |
| Exact Mass | 422.266839 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EeRp55PQtoC |
|---|---|
| Name | 12-epi-12-deacetoxy-aplysillin |
| Alternate Name(s) | Acetic acid [(1S,3R,3aR,3bR,9aS,11R,11aS)-3-acetyloxy-11-hydroxy-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e]isobenzofuran-1-yl] ester [(1S,3R,3aR,3bR,9aS,11R,11aS)-3-acetyloxy-11-hydroxy-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran-1-yl] acetate [(1S,3R,3aR,3bR,9aS,11R,11aS)-3-acetoxy-11-hydroxy-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e]isobenzofuran-1-yl] acetate [(1S,3R,3aR,3bR,9aS,11R,11aS)-3-acetyloxy-3b,6,6,9a-tetramethyl-11-oxidanyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydro-1H-naphtho[2,1-e][2]benzofuran-1-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H38O6 |
| InChI | InChI=1S/C24H38O6/c1-13(25)28-20-18-15(27)12-17-23(5)10-7-9-22(3,4)16(23)8-11-24(17,6)19(18)21(30-20)29-14(2)26/h15-21,27H,7-12H2,1-6H3/t15-,16?,17?,18-,19+,20-,21+,23+,24-/m1/s1 |
| InChIKey | YHQPTXXDIPLCDA-KKMVSXKPSA-N |
| Molecular Weight | 422.562 g/mol |
| SMILES | O[C@@]1(CC2[C@]([C@]3([C@@]1([C@](OC(=O)C)(O[C@@]3(OC(=O)C)[H])[H])[H])[H])(CCC1C(CCC[C@]21C)(C)C)C)[H] |
| SPLASH | splash10-0uxr-0298000000-3f6e6405a7f9efbb4d3a |
| Source of Spectrum | X2-53-105-3 |
| Wiley ID | 1603394 |