| SpectraBase Compound ID | 2DholDI3IGN |
|---|---|
| InChI | InChI=1S/C23H33Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-19(27)26-18-13-22(30)12-17(24)20(28)23(25,14-22)21(18)29/h9-12,15,18,21,29-30H,4-8,13-14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,18+,21+,22-,23+/m1/s1 |
| InChIKey | WDCSNVYLZCMUNB-WFXSWVRYSA-N |
| Mol Weight | 458.4 g/mol |
| Molecular Formula | C23H33Cl2NO4 |
| Exact Mass | 457.178664 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cf82puhTyK |
|---|---|
| Name | Gymnastatin R |
| Appearance | Colorless powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H33Cl2NO4 |
| InChI | InChI=1S/C23H33Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-19(27)26-18-13-22(30)12-17(24)20(28)23(25,14-22)21(18)29/h9-12,15,18,21,29-30H,4-8,13-14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,18+,21+,22-,23+/m1/s1 |
| InChIKey | WDCSNVYLZCMUNB-WFXSWVRYSA-N |
| Instrument Name | Hitachi M-4000H |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np070529a |
| Molecular Weight | 458.426 g/mol |
| Optical Rotation | [a]D24 = -104.5 (c = 0.48, EtOH) |
| Reported Formula | C23H33Cl2NO4 |
| SMILES | N(C(\C=C\C(=C\[C@@](CCCCCC)(C)[H])C)=O)[C@]1(C[C@]2(C[C@@]([C@]1(O)[H])(C(C(=C2)Cl)=O)Cl)O)[H] |
| SPLASH | splash10-0006-4319000000-56994d97138f780f19ba |
| Source of Spectrum | G4-71-344-4 |
| Wiley ID | 1871990 |