| SpectraBase Compound ID | IaPNcFfT2AR |
|---|---|
| InChI | InChI=1S/C20H29NO7/c1-5-13-8-11(2)20(4,25)19(24)26-10-14-16(27-12(3)22)9-21-7-6-15(17(14)21)28-18(13)23/h5,11,14-17,25H,6-10H2,1-4H3/b13-5-/t11-,14?,15?,16?,17?,20?/m1/s1 |
| InChIKey | FUOIHFZKSQBMKK-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 | 6xXNeXCdUgC |
|---|---|
| Name | 2-(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(4,25)19(24)26-10-14-16(27-12(3)22)9-21-7-6-15(17(14)21)28-18(13)23/h5,11,14-17,25H,6-10H2,1-4H3/b13-5-/t11-,14?,15?,16?,17?,20?/m1/s1 |
| InChIKey | FUOIHFZKSQBMKK-JMYZGLQJSA-N |
| Molecular Weight | 395.452 g/mol |
| SMILES | OC1(C(OCC2C3N(CC2OC(=O)C)CCC3OC(\C(C[C@]1(C)[H])=C/C)=O)=O)C |
| SPLASH | splash10-015i-3911000000-4ccc71c9fdd8248fb169 |
| Source of Spectrum | X2-54-498-15 |
| Wiley ID | 1604006 |