| SpectraBase Compound ID | CfgaALLMMLh |
|---|---|
| InChI | InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14+,18-,21+/m0/s1 |
| InChIKey | JMIAZDVHNCCPDM-DAFCLMLCSA-N |
| Mol Weight | 368.43 g/mol |
| Molecular Formula | C21H24N2O4 |
| Exact Mass | 368.173607 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hdf4pL0JRsQ |
|---|---|
| Name | Mitraphylline |
| Catalog Number | 38130 |
| Lot Number | 672069 |
| CAS Registry Number | 509-80-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.173607257 u |
| Formula | C21H24N2O4 |
| InChI | InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14+,18-,21+/m0/s1 |
| InChIKey | JMIAZDVHNCCPDM-DAFCLMLCSA-N |
| Molecular Weight | 368.433 g/mol |
| Quality | 985 |
| SMILES | N1C2=C([C@]3(C1=O)CCN1C[C@]4([H])[C@](C)(OC=C(C(OC)=O)[C@@]4([H])C[C@@]31[H])[H])C=CC=C2 |
| SPLASH | splash10-00xr-6941000000-bdba7621c43ad0ea3352 |
| Source of Spectrum | CAY-2024-2175-0 |
| Synonyms | methyl (1'S,3R,4a'S,5a'S,10a'R)-1'-methyl-2-oxo-4a',5',5a',7',8',10a'-hexahydro-1'H,10'H-spiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate methyl (1'S,3R,4'aS,5'aS,10'aR)-1'-methyl-2-oxo-1,1',2,4'a,5',5'a,7',8',10',10'a-decahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate |
| Wiley ID | 1890555 |