| SpectraBase Compound ID | 5WkJinYwhrF |
|---|---|
| InChI | InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18+/t13-,14-,15-,16-,17+,22-/m1/s1 |
| InChIKey | QNQBPPQLRODXET-AIMHRHHOSA-N |
| Mol Weight | 373.49 g/mol |
| Molecular Formula | C22H31NO4 |
| Exact Mass | 373.225308 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3AtzhxW6NDa |
|---|---|
| Name | (-)-Equisetin |
| Alternate Name(s) | (3E,5S)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione (3E,5S)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxy-methylene]-5-(hydroxymethyl)-1-methyl-pyrrolidine-2,4-dione (3E,5S)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-oxidanyl-methylidene]-5-(hydroxymethyl)-1-methyl-pyrrolidine-2,4-dione |
| CAS Registry Number | 57749-43-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H31NO4 |
| InChI | InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18+/t13-,14-,15-,16-,17+,22-/m1/s1 |
| InChIKey | QNQBPPQLRODXET-AIMHRHHOSA-N |
| Molecular Weight | 373.493 g/mol |
| SMILES | OC[C@@]1(N(C(\C(=C\([C@]2([C@]3([C@](C[C@@](CC3)(C)[H])([H])C=C[C@]2(\C=C\C)[H])[H])C)O)C1=O)=O)C)[H] |
| SPLASH | splash10-006t-0941000000-5489a0ec964124803998 |
| Source of Spectrum | C-111-8236-0 |
| Wiley ID | 1356173 |