| SpectraBase Compound ID | LyNxacqnV4g |
|---|---|
| InChI | InChI=1S/C26H34O9/c1-13(2)9-20(32-15(4)27)23(33-16(5)28)19-11-30-25(34-17(6)29)22-14(3)10-21-24(35-21)26(12-31-26)8-7-18(19)22/h9,11,18,20-25H,3,7-8,10,12H2,1-2,4-6H3/t18?,20?,21?,22?,23-,24?,25?,26?/m1/s1 |
| InChIKey | GQAQHBGCYOLKSD-SPXNIUHCSA-N |
| Mol Weight | 490.5 g/mol |
| Molecular Formula | C26H34O9 |
| Exact Mass | 490.220283 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6PE1W9a3AGh |
|---|---|
| Name | Desoxy-havannahine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H34O9 |
| InChI | InChI=1S/C26H34O9/c1-13(2)9-20(32-15(4)27)23(33-16(5)28)19-11-30-25(34-17(6)29)22-14(3)10-21-24(35-21)26(12-31-26)8-7-18(19)22/h9,11,18,20-25H,3,7-8,10,12H2,1-2,4-6H3/t18?,20?,21?,22?,23-,24?,25?,26?/m1/s1 |
| InChIKey | GQAQHBGCYOLKSD-SPXNIUHCSA-N |
| Molecular Weight | 490.549 g/mol |
| SMILES | C12OC2CC(C2C(OC=C(C2CCC11OC1)[C@](C(C=C(C)C)OC(=O)C)(OC(=O)C)[H])OC(=O)C)=C |
| SPLASH | splash10-03di-0009000000-e13fb243da22ccb322fa |
| Source of Spectrum | X2-50-208-5 |
| Wiley ID | 1602161 |