| SpectraBase Compound ID | I0lva1OcGzy |
|---|---|
| InChI | InChI=1S/C22H31NO3/c1-13-12-23(25)19-16-5-3-4-14(16)6-7-17(19)21(2)22(11-9-18(24)26-21)10-8-15(13)20(22)23/h5,13-15,17,19-20H,3-4,6-12H2,1-2H3/t13-,14-,15-,17+,19+,20+,21-,22+,23?/m1/s1 |
| InChIKey | PTOMOLGIAURSGE-WUAOOJMUSA-N |
| Mol Weight | 357.49 g/mol |
| Molecular Formula | C22H31NO3 |
| Exact Mass | 357.230394 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 47Ewc0McJb0 |
|---|---|
| Name | Calyciphylline B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H31NO3 |
| InChI | InChI=1S/C22H31NO3/c1-13-12-23(25)19-16-5-3-4-14(16)6-7-17(19)21(2)22(11-9-18(24)26-21)10-8-15(13)20(22)23/h5,13-15,17,19-20H,3-4,6-12H2,1-2H3/t13-,14-,15-,17+,19+,20+,21-,22+,23?/m1/s1 |
| InChIKey | PTOMOLGIAURSGE-WUAOOJMUSA-N |
| Molecular Weight | 357.494 g/mol |
| SMILES | [C@@]12([N+]3(C[C@]([C@]1(CC[C@]21CCC(O[C@@]1([C@@]1([C@@]3(C=2[C@@](CC1)(CCC2)[H])[H])[H])C)=O)[H])(C)[H])[O-])[H] |
| SPLASH | splash10-01ox-0029000000-f694844324ee65e1984d |
| Source of Spectrum | F-68-7966-3 |
| Wiley ID | 1573559 |