| SpectraBase Compound ID | KZAwkwbDrt1 |
|---|---|
| InChI | InChI=1S/C33H52O10/c1-22(14-19-28(38-6)27(37-5)13-11-10-12-20-34)29-23(2)30(42-21-25-15-17-26(36-4)18-16-25)31(39-7)33(41-9,43-29)24(3)32(35)40-8/h14-20,22-24,27-31H,10-13,21H2,1-9H3/b19-14+/t22-,23+,24+,27-,28+,29-,30-,31+,33?/m0/s1 |
| InChIKey | PVPUPIOTXCZNLD-OAXXDOQZSA-N |
| Mol Weight | 608.8 g/mol |
| Molecular Formula | C33H52O10 |
| Exact Mass | 608.356048 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8xl1hPCcBm7 |
|---|---|
| Name | Methyl 17-desphenyl-5-O-(4'-methoxybenzyl)-3-O-methyl-17-oxo-1,17-seco-1-soraphenecarboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H52O10 |
| InChI | InChI=1S/C33H52O10/c1-22(14-19-28(38-6)27(37-5)13-11-10-12-20-34)29-23(2)30(42-21-25-15-17-26(36-4)18-16-25)31(39-7)33(41-9,43-29)24(3)32(35)40-8/h14-20,22-24,27-31H,10-13,21H2,1-9H3/b19-14+/t22-,23+,24+,27-,28+,29-,30-,31+,33?/m0/s1 |
| InChIKey | PVPUPIOTXCZNLD-OAXXDOQZSA-N |
| Molecular Weight | 608.769 g/mol |
| SMILES | C1([C@@]([C@]([C@](C)([C@@](O1)([C@](\C=C\[C@]([C@@](OC)(CCCCC=O)[H])(OC)[H])(C)[H])[H])[H])(OCc1ccc(OC)cc1)[H])(OC)[H])([C@@](C(=O)OC)(C)[H])OC |
| SPLASH | splash10-00di-0910000000-3cde23218ca5f58e8d83 |
| Source of Spectrum | U-1995-812-18 |
| Wiley ID | 766749 |