| SpectraBase Compound ID | LYi5Gj3lxVr |
|---|---|
| InChI | InChI=1S/C22H31NO3/c1-13-11-23-17-14(13)4-7-20-12-26-16(24)5-8-21(17,20)15-3-2-6-19(15)9-10-22(20,25)18(19)23/h13-15,17-18,25H,2-12H2,1H3/t13-,14?,15-,17+,18?,19-,20?,21?,22?/m1/s1 |
| InChIKey | ZJPDDVBECQPEJF-DISPUZFDSA-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 | AXRLVPe0rDF |
|---|---|
| Name | Caldaphnidine N |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H31NO3 |
| InChI | InChI=1S/C22H31NO3/c1-13-11-23-17-14(13)4-7-20-12-26-16(24)5-8-21(17,20)15-3-2-6-19(15)9-10-22(20,25)18(19)23/h13-15,17-18,25H,2-12H2,1H3/t13-,14?,15-,17+,18?,19-,20?,21?,22?/m1/s1 |
| InChIKey | ZJPDDVBECQPEJF-DISPUZFDSA-N |
| Molecular Weight | 357.494 g/mol |
| SMILES | OC12C34C5([C@@]6([H])N(C2[C@]2(CCC[C@@]52[H])CC1)C[C@](C6CC4)(C)[H])CCC(OC3)=O |
| SPLASH | splash10-0a4i-8249000000-4405489dc0baecff2f7c |
| Source of Spectrum | G4-71-1667-8 |
| Wiley ID | 1695143 |