| SpectraBase Compound ID | 7kpdQoNcDcR |
|---|---|
| InChI | InChI=1S/C32H50O10/c1-21(13-18-27(37-6)26(36-5)12-10-11-19-33)28-22(2)29(41-20-24-14-16-25(35-4)17-15-24)30(38-7)32(40-9,42-28)23(3)31(34)39-8/h13-19,21-23,26-30H,10-12,20H2,1-9H3/b18-13+/t21-,22+,23+,26-,27+,28-,29-,30+,32?/m0/s1 |
| InChIKey | OICVYRUXFSQNPU-QSMXAGSISA-N |
| Mol Weight | 594.7 g/mol |
| Molecular Formula | C32H50O10 |
| Exact Mass | 594.340398 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AceHALEePDg |
|---|---|
| Name | Methyl 17-desphenyl-5-O-(4'-methoxybenzyl)-3-O-methyl-17-oxo-16-nor-1,17-seco-1-soraphenecarboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H50O10 |
| InChI | InChI=1S/C32H50O10/c1-21(13-18-27(37-6)26(36-5)12-10-11-19-33)28-22(2)29(41-20-24-14-16-25(35-4)17-15-24)30(38-7)32(40-9,42-28)23(3)31(34)39-8/h13-19,21-23,26-30H,10-12,20H2,1-9H3/b18-13+/t21-,22+,23+,26-,27+,28-,29-,30+,32?/m0/s1 |
| InChIKey | OICVYRUXFSQNPU-QSMXAGSISA-N |
| Molecular Weight | 594.742 g/mol |
| SMILES | C1([C@@]([C@]([C@](C)([C@@](O1)([C@](\C=C\[C@]([C@@](OC)(CCCC=O)[H])(OC)[H])(C)[H])[H])[H])(OCc1ccc(OC)cc1)[H])(OC)[H])([C@@](C(=O)OC)(C)[H])OC |
| SPLASH | splash10-00di-0920000000-c67b2bb08faa6ffab7d8 |
| Source of Spectrum | U-1995-811-16 |
| Wiley ID | 766750 |