| SpectraBase Compound ID | 3sZFV70trul |
|---|---|
| InChI | InChI=1S/C27H37NO9/c1-13-21-8-7-19-20(11-18(12-28)34-14(2)29)23(33)10-9-22(19)27(21,6)26(37-17(5)32)25(36-16(4)31)24(13)35-15(3)30/h13,18-22,24-26H,7-11H2,1-6H3 |
| InChIKey | YZUZHSNBNIQOMF-UHFFFAOYSA-N |
| Mol Weight | 519.6 g/mol |
| Molecular Formula | C27H37NO9 |
| Exact Mass | 519.246832 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9aka0VcD7Or |
|---|---|
| Name | Acetic acid, 3,4-diacetoxy-8-(2-acetoxy-2-cyanoethyl)-1,4a-dimethyl-7-oxotetradecahydrophenanthren-2-yl ester |
| Alternate Name(s) | 2,3-Bis(acetyloxy)-8-[2-(acetyloxy)-2-cyanoethyl]-1,4a-dimethyl-7-oxotetradecahydro-4-phenanthrenyl acetate Acetic acid [3,4-diacetyloxy-8-(2-acetyloxy-2-cyanoethyl)-1,4a-dimethyl-7-oxo-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] ester [3,4-diacetyloxy-8-(2-acetyloxy-2-cyanoethyl)-1,4a-dimethyl-7-oxo-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] acetate [3,4-diacetoxy-8-(2-acetoxy-2-cyano-ethyl)-1,4a-dimethyl-7-oxo-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] acetate [3,4-diacetyloxy-8-(2-acetyloxy-2-cyano-ethyl)-1,4a-dimethyl-7-oxidanylidene-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H37NO9 |
| InChI | InChI=1S/C27H37NO9/c1-13-21-8-7-19-20(11-18(12-28)34-14(2)29)23(33)10-9-22(19)27(21,6)26(37-17(5)32)25(36-16(4)31)24(13)35-15(3)30/h13,18-22,24-26H,7-11H2,1-6H3 |
| InChIKey | YZUZHSNBNIQOMF-UHFFFAOYSA-N |
| Molecular Weight | 519.591 g/mol |
| SMILES | C(=O)(OC1C(C(C2(C3C(CCC2C1C)C(C(CC3)=O)CC(C#N)OC(=O)C)C)OC(=O)C)OC(=O)C)C |
| SPLASH | splash10-0006-9753100000-6c9564bde7c813f5ebd8 |
| Wiley ID | 1487165 |