| SpectraBase Compound ID | GFwzyZHW0CW |
|---|---|
| InChI | InChI=1S/C27H42O8S/c1-16-11-12-22(32-5)21(31-4)10-8-7-9-20(19-13-14-36-15-19)34-26(29)18(3)27(30)25(33-6)23(28)17(2)24(16)35-27/h11-18,20-25,28,30H,7-10H2,1-6H3/b12-11+/t16-,17-,18+,20-,21-,22+,23-,24-,25+,27+/m0/s1 |
| InChIKey | DUXMFSBRKOPWDQ-NYNPCBRISA-N |
| Mol Weight | 526.7 g/mol |
| Molecular Formula | C27H42O8S |
| Exact Mass | 526.260039 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2fZ8dfQ76Js |
|---|---|
| Name | (17S)-Desphenyl-17-(3'-thienyl)soraphen |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O8S |
| InChI | InChI=1S/C27H42O8S/c1-16-11-12-22(32-5)21(31-4)10-8-7-9-20(19-13-14-36-15-19)34-26(29)18(3)27(30)25(33-6)23(28)17(2)24(16)35-27/h11-18,20-25,28,30H,7-10H2,1-6H3/b12-11+/t16-,17-,18+,20-,21-,22+,23-,24-,25+,27+/m0/s1 |
| InChIKey | DUXMFSBRKOPWDQ-NYNPCBRISA-N |
| Molecular Weight | 526.685 g/mol |
| SMILES | O[C@@]1([C@]([C@@]2(O[C@]([C@]1(C)[H])([C@](\C=C\[C@]([C@@](OC)(CCCC[C@@](c1cscc1)(OC([C@]2(C)[H])=O)[H])[H])(OC)[H])(C)[H])[H])O)(OC)[H])[H] |
| SPLASH | splash10-0a4i-9501000000-dce9b8213de86667dff3 |
| Source of Spectrum | U-1995-814-2 |
| Synonyms | (1S,2S,3E,5R,6S,11S,14S,15R,16R,17S,18S)-15,17-dihydroxy-5,6,16-trimethoxy-2,14,18-trimethyl-11-(3-thiophenyl)-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one (1S,2S,3E,5R,6S,11S,14S,15R,16R,17S,18S)-15,17-dihydroxy-5,6,16-trimethoxy-2,14,18-trimethyl-11-thiophen-3-yl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one (1S,2S,3E,5R,6S,11S,14S,15R,16R,17S,18S)-5,6,16-trimethoxy-2,14,18-trimethyl-15,17-bis(oxidanyl)-11-thiophen-3-yl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one |
| Wiley ID | 766738 |