| SpectraBase Compound ID | blFhR4sZND |
|---|---|
| InChI | InChI=1S/C20H29NO7/c1-5-14-10-12(2)19(4,28-13(3)22)18(24)26-11-20(25)7-9-21-8-6-15(16(20)21)27-17(14)23/h5,12,15-16,25H,6-11H2,1-4H3/b14-5+/t12-,15-,16?,19?,20+/m1/s1 |
| InChIKey | OKBSOOJPPZTNST-QXYLUQQNSA-N |
| Mol Weight | 395.45 g/mol |
| Molecular Formula | C20H29NO7 |
| Exact Mass | 395.194402 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JYrLXJ0HQwz |
|---|---|
| Name | 12-( O-acetyl)-hadiensine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H29NO7 |
| InChI | InChI=1S/C20H29NO7/c1-5-14-10-12(2)19(4,28-13(3)22)18(24)26-11-20(25)7-9-21-8-6-15(16(20)21)27-17(14)23/h5,12,15-16,25H,6-11H2,1-4H3/b14-5+/t12-,15-,16?,19?,20+/m1/s1 |
| InChIKey | OKBSOOJPPZTNST-QXYLUQQNSA-N |
| Molecular Weight | 395.452 g/mol |
| SMILES | O[C@@]12C3N(CC[C@]3(OC(\C(C[C@](C(C(OC2)=O)(OC(=O)C)C)(C)[H])=C\C)=O)[H])CC1 |
| SPLASH | splash10-0006-9400000000-123470b7389a643012dd |
| Source of Spectrum | X2-54-498-4 |
| Wiley ID | 1604008 |