| SpectraBase Compound ID | EuXT7YIr7NY |
|---|---|
| InChI | InChI=1S/C23H36O6/c1-19-7-3-14(24)11-22(19,27)9-5-16-15(19)4-8-20(2)17(6-10-23(16,20)28)21(26)12-18(25)29-13-21/h14-17,24,26-28H,3-13H2,1-2H3/t14-,15-,16+,17-,19+,20+,21?,22-,23-/m0/s1 |
| InChIKey | ZLVFJNWHRCVCMX-BAFAYUGDSA-N |
| Mol Weight | 408.5 g/mol |
| Molecular Formula | C23H36O6 |
| Exact Mass | 408.251189 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AHfEERA2X5u |
|---|---|
| Name | Antiarotoxinin A |
| Appearance | Colorless powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H36O6 |
| InChI | InChI=1S/C23H36O6/c1-19-7-3-14(24)11-22(19,27)9-5-16-15(19)4-8-20(2)17(6-10-23(16,20)28)21(26)12-18(25)29-13-21/h14-17,24,26-28H,3-13H2,1-2H3/t14-,15-,16+,17-,19+,20+,21?,22-,23-/m0/s1 |
| InChIKey | ZLVFJNWHRCVCMX-BAFAYUGDSA-N |
| Instrument Name | VG 70-250S |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np9005212 |
| Molecular Weight | 408.535 g/mol |
| Optical Rotation | [a]D25 = +30.96 (c = 0.087, MeOH) |
| Reported Formula | C23H36O6 |
| SMILES | O[C@]1(CC[C@]2([C@@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@@]1(CC[C@@]2(C1(CC(OC1)=O)O)[H])O)C)[H])[H])O)C)[H] |
| SPLASH | splash10-066u-9837000000-d5ec29d747deaca80b7f |
| Source of Spectrum | G4-73-1222-10 |
| Wiley ID | 1848985 |