![4-Demethyl-5-O-(4'-methoxybezyl)-4-O-[(methylthio)thiocarbonyl]-4-episoraphen](/api/spectrum/8d4ISP0Z5Gy/structure.png?h=300&w=458 "4-Demethyl-5-O-(4'-methoxybezyl)-4-O-[(methylthio)thiocarbonyl]-4-episoraphen")
| SpectraBase Compound ID | CYdo6gmuS52 |
|---|---|
| InChI | InChI=1S/C38H52O9S2/c1-24-17-22-32(43-6)31(42-5)16-12-11-15-30(28-13-9-8-10-14-28)45-36(39)26(3)38(40)35(46-37(48)49-7)34(25(2)33(24)47-38)44-23-27-18-20-29(41-4)21-19-27/h8-10,13-14,17-22,24-26,30-35,40H,11-12,15-16,23H2,1-7H3/b22-17+/t24?,25-,26-,30+,31+,32-,33+,34+,35+,38-/m1/s1 |
| InChIKey | CVRAYQAXJCTICH-ISXGITOCSA-N |
| Mol Weight | 716.9 g/mol |
| Molecular Formula | C38H52O9S2 |
| Exact Mass | 716.305276 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8d4ISP0Z5Gy |
|---|---|
| Name | 4-Demethyl-5-O-(4'-methoxybezyl)-4-O-[(methylthio)thiocarbonyl]-4-episoraphen |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H52O9S2 |
| InChI | InChI=1S/C38H52O9S2/c1-24-17-22-32(43-6)31(42-5)16-12-11-15-30(28-13-9-8-10-14-28)45-36(39)26(3)38(40)35(46-37(48)49-7)34(25(2)33(24)47-38)44-23-27-18-20-29(41-4)21-19-27/h8-10,13-14,17-22,24-26,30-35,40H,11-12,15-16,23H2,1-7H3/b22-17+/t24?,25-,26-,30+,31+,32-,33+,34+,35+,38-/m1/s1 |
| InChIKey | CVRAYQAXJCTICH-ISXGITOCSA-N |
| Molecular Weight | 716.945 g/mol |
| SMILES | O[C@@]12[C@]([C@@](OCc3ccc(OC)cc3)([C@@]([C@@](O1)(C(\C=C\[C@]([C@@](OC)(CCCC[C@](OC([C@]2(C)[H])=O)(c1ccccc1)[H])[H])(OC)[H])C)[H])(C)[H])[H])(OC(=S)SC)[H] |
| SPLASH | splash10-05fr-4900000000-db9c428aad73635db782 |
| Source of Spectrum | U-1997-250-17 |
| Wiley ID | 769350 |