| SpectraBase Compound ID | AqshYZ1BQXc |
|---|---|
| InChI | InChI=1S/C17H17NO6/c1-18-3-2-8-4-11(19)15-17(21,14(8)18)10-6-13-12(22-7-23-13)5-9(10)16(20)24-15/h4-6,11,14-15,19,21H,2-3,7H2,1H3/t11-,14+,15+,17+/m0/s1 |
| InChIKey | SFXPHQQLLAZNSN-LDXOSZSPSA-N |
| Mol Weight | 331.32 g/mol |
| Molecular Formula | C17H17NO6 |
| Exact Mass | 331.105587 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HOQdZIDISXf |
|---|---|
| Name | Pancratinine A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H17NO6 |
| InChI | InChI=1S/C17H17NO6/c1-18-3-2-8-4-11(19)15-17(21,14(8)18)10-6-13-12(22-7-23-13)5-9(10)16(20)24-15/h4-6,11,14-15,19,21H,2-3,7H2,1H3/t11-,14+,15+,17+/m0/s1 |
| InChIKey | SFXPHQQLLAZNSN-LDXOSZSPSA-N |
| Molecular Weight | 331.324 g/mol |
| SMILES | O[C@@]1([C@@]2([C@@](c3c(C(O2)=O)cc2c(c3)OCO2)([C@]2(C(=C1)CCN2C)[H])O)[H])[H] |
| SPLASH | splash10-01ot-0296000000-4d6332cb36f003673bb6 |
| Source of Spectrum | G4-72-115-1 |
| Wiley ID | 1702241 |