| SpectraBase Compound ID | B1duSkqzkaA |
|---|---|
| InChI | InChI=1S/C37H52O11S/c1-24-17-22-32(44-6)31(43-5)16-12-11-15-30(28-13-9-8-10-14-28)46-36(38)26(3)37(39)35(48-49(7,40)41)34(25(2)33(24)47-37)45-23-27-18-20-29(42-4)21-19-27/h8-10,13-14,17-22,24-26,30-35,39H,11-12,15-16,23H2,1-7H3/b22-17+/t24-,25+,26+,30-,31-,32+,33-,34-,35-,37+/m0/s1 |
| InChIKey | ZNYHEXLKMACCPI-JQPQMJQDSA-N |
| Mol Weight | 704.9 g/mol |
| Molecular Formula | C37H52O11S |
| Exact Mass | 704.323034 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J0bZOBENfQV |
|---|---|
| Name | 4-Demethyl-4-O-mesyl-5-O-(4'-methoxybenzyl)-4-episoraphen |
| Alternate Name(s) | Methanesulfonic acid [(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18R)-15-hydroxy-5,6-dimethoxy-17-[(4-methoxyphenyl)methoxy]-2,14,18-trimethyl-13-oxo-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-16-yl] ester [(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18R)-15-hydroxy-5,6-dimethoxy-17-[(4-methoxyphenyl)methoxy]-2,14,18-trimethyl-13-oxo-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-16-yl] methanesulfonate [(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18R)-5,6-dimethoxy-17-[(4-methoxyphenyl)methoxy]-2,14,18-trimethyl-15-oxidanyl-13-oxidanylidene-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-16-yl] methanesulfonate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H52O11S |
| InChI | InChI=1S/C37H52O11S/c1-24-17-22-32(44-6)31(43-5)16-12-11-15-30(28-13-9-8-10-14-28)46-36(38)26(3)37(39)35(48-49(7,40)41)34(25(2)33(24)47-37)45-23-27-18-20-29(42-4)21-19-27/h8-10,13-14,17-22,24-26,30-35,39H,11-12,15-16,23H2,1-7H3/b22-17+/t24-,25+,26+,30-,31-,32+,33-,34-,35-,37+/m0/s1 |
| InChIKey | ZNYHEXLKMACCPI-JQPQMJQDSA-N |
| Molecular Weight | 704.872 g/mol |
| SMILES | O[C@]12[C@]([C@]([C@](C)([C@@](O2)([C@](\C=C\[C@]([C@@](OC)(CCCC[C@](OC([C@]1(C)[H])=O)(c1ccccc1)[H])[H])(OC)[H])(C)[H])[H])[H])(OCc1ccc(cc1)OC)[H])(OS(=O)(=O)C)[H] |
| SPLASH | splash10-00di-3900000000-cfc33f9fb61339666ffa |
| Source of Spectrum | U-1997-249-13 |
| Wiley ID | 769353 |