| SpectraBase Compound ID | E6Y8HPmFIgy |
|---|---|
| InChI | InChI=1S/C27H31NO5/c1-23(2)22-18(29)13-19-26(32-22,33-23)10-9-24(3)25(4)14(12-20(30)27(19,24)31)11-16-15-7-5-6-8-17(15)28-21(16)25/h5-8,13-14,20,22,28,30-31H,9-12H2,1-4H3/t14-,20+,22+,24-,25-,26+,27+/m1/s1 |
| InChIKey | JNHPMJVSUJKCKH-KCCNSQSLSA-N |
| Mol Weight | 449.55 g/mol |
| Molecular Formula | C27H31NO5 |
| Exact Mass | 449.220223 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FjApQ7pRMFL |
|---|---|
| Name | 14-Hydroxypaspalinine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H31NO5 |
| InChI | InChI=1S/C27H31NO5/c1-23(2)22-18(29)13-19-26(32-22,33-23)10-9-24(3)25(4)14(12-20(30)27(19,24)31)11-16-15-7-5-6-8-17(15)28-21(16)25/h5-8,13-14,20,22,28,30-31H,9-12H2,1-4H3/t14-,20+,22+,24-,25-,26+,27+/m1/s1 |
| InChIKey | JNHPMJVSUJKCKH-KCCNSQSLSA-N |
| Molecular Weight | 449.547 g/mol |
| SMILES | [nH]1c2ccccc2c2c1[C@@]1([C@]3(CC[C@@]45C([C@@]3([C@](C[C@]1(C2)[H])(O)[H])O)=CC([C@](O5)(C(O4)(C)C)[H])=O)C)C |
| SPLASH | splash10-0006-9400000000-ddeebf85616b041e0b46 |
| Source of Spectrum | AT-34-2572-3 |
| Wiley ID | 852454 |