| SpectraBase Compound ID | 3G3AzdSP2do |
|---|---|
| InChI | InChI=1S/C21H20O8/c1-25-16-5-11(6-17(26-2)19(16)22)18-13-7-15-14(28-9-29-15)4-10(13)3-12-8-27-20(23)21(12,18)24/h4-7,12,18,22,24H,3,8-9H2,1-2H3/t12-,18?,21+/m0/s1 |
| InChIKey | CAIKUGYBZISRCB-RTDJNKIMSA-N |
| Mol Weight | 400.38 g/mol |
| Molecular Formula | C21H20O8 |
| Exact Mass | 400.115818 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Gf9IR4E4zfv |
|---|---|
| Name | 2'.beta.-Hydroxy-4'-demethyl-desoxy-Picropodophyllotoxin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H20O8 |
| InChI | InChI=1S/C21H20O8/c1-25-16-5-11(6-17(26-2)19(16)22)18-13-7-15-14(28-9-29-15)4-10(13)3-12-8-27-20(23)21(12,18)24/h4-7,12,18,22,24H,3,8-9H2,1-2H3/t12-,18?,21+/m0/s1 |
| InChIKey | CAIKUGYBZISRCB-RTDJNKIMSA-N |
| Molecular Weight | 400.383 g/mol |
| SMILES | Oc1c(cc(C2[C@@]3([C@@](Cc4cc5OCOc5cc24)(COC3=O)[H])O)cc1OC)OC |
| SPLASH | splash10-0udi-0780900000-b2cf9b918704dd41bedb |
| Source of Spectrum | X2-57-723-3 |
| Wiley ID | 1605439 |