| SpectraBase Compound ID | BSI2RaqEqOz |
|---|---|
| InChI | InChI=1S/C23H26O5/c1-12(2)19-10-18-22(28-19)13(3)21(26-5)17-8-14(11-27-23(17)18)16-7-6-15(24)9-20(16)25-4/h6-7,9,14,19,24H,1,8,10-11H2,2-5H3 |
| InChIKey | XFVPGPPVYZMJES-UHFFFAOYSA-N |
| Mol Weight | 382.46 g/mol |
| Molecular Formula | C23H26O5 |
| Exact Mass | 382.178024 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LkaHXq8E9Cl |
|---|---|
| Name | Desmodian B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H26O5 |
| InChI | InChI=1S/C23H26O5/c1-12(2)19-10-18-22(28-19)13(3)21(26-5)17-8-14(11-27-23(17)18)16-7-6-15(24)9-20(16)25-4/h6-7,9,14,19,24H,1,8,10-11H2,2-5H3 |
| InChIKey | XFVPGPPVYZMJES-UHFFFAOYSA-N |
| Molecular Weight | 382.456 g/mol |
| SMILES | Oc1ccc(C2COc3c(c(OC)c(c4c3CC(C(=C)C)O4)C)C2)c(c1)OC |
| SPLASH | splash10-00m0-0965000000-f872d9b3213d6b06ef4b |
| Source of Spectrum | K1-0-5446-5 |
| Wiley ID | 1589910 |