| SpectraBase Compound ID | 6gKUjyeYypy |
|---|---|
| InChI | InChI=1S/C20H29NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-15(23)9-21-7-6-16(17(14)21)27-18(13)24/h5,11,14-17,23H,6-10H2,1-4H3/b13-5-/t11-,14?,15?,16?,17?,20?/m1/s1 |
| InChIKey | DZYSFHOSCAULAC-JMYZGLQJSA-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 | FcfOFFXFn2S |
|---|---|
| Name | 12-(O-acetyl)-rosmarinine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H29NO7 |
| InChI | InChI=1S/C20H29NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-15(23)9-21-7-6-16(17(14)21)27-18(13)24/h5,11,14-17,23H,6-10H2,1-4H3/b13-5-/t11-,14?,15?,16?,17?,20?/m1/s1 |
| InChIKey | DZYSFHOSCAULAC-JMYZGLQJSA-N |
| Molecular Weight | 395.452 g/mol |
| SMILES | OC1CN2C3C1COC(C(OC(=O)C)(C)[C@@](C\C(C(OC3CC2)=O)=C\C)(C)[H])=O |
| SPLASH | splash10-0006-9200000000-895c87144329e271c4e7 |
| Source of Spectrum | X2-54-499-6 |
| Wiley ID | 1604005 |