| SpectraBase Compound ID | Gsm4H0cvbhz |
|---|---|
| InChI | InChI=1S/C31H62O10Si5/c1-20-23(32)17-21-22(29(33)41-46(14,15)16)18-34-30(25(20)21)37-31-28(40-45(11,12)13)27(39-44(8,9)10)26(38-43(5,6)7)24(36-31)19-35-42(2,3)4/h18,20-21,24-28,30-31H,17,19H2,1-16H3/t20-,21+,24+,25+,26+,27-,28+,30-,31-/m0/s1 |
| InChIKey | WNSGBTIHBUYTMP-JAGOUWEGSA-N |
| Mol Weight | 735.3 g/mol |
| Molecular Formula | C31H62O10Si5 |
| Exact Mass | 734.318931 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQpIsr7jOmW |
|---|---|
| Name | Ketologanic acid, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 734.318930861 u |
| Formula | C31H62O10Si5 |
| InChI | InChI=1S/C31H62O10Si5/c1-20-23(32)17-21-22(29(33)41-46(14,15)16)18-34-30(25(20)21)37-31-28(40-45(11,12)13)27(39-44(8,9)10)26(38-43(5,6)7)24(36-31)19-35-42(2,3)4/h18,20-21,24-28,30-31H,17,19H2,1-16H3/t20-,21+,24+,25+,26+,27-,28+,30-,31-/m0/s1 |
| InChIKey | WNSGBTIHBUYTMP-JAGOUWEGSA-N |
| Molecular Weight | 735.252 g/mol |
| SMILES | [C@]12([C@]([C@@](OC=C2C(=O)O[Si](C)(C)C)(O[C@@]2(O[C@@]([C@]([C@@]([C@]2(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])[H])[H])([C@@](C)(C(C1)=O)[H])[H])[H] |