![2-[3-Ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid, 5tms](/api/spectrum/LmqMb3wphYf/structure.png?h=300&w=458 "2-[3-Ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid, 5tms")
| SpectraBase Compound ID | 7P8QRGlBac1 |
|---|---|
| InChI | InChI=1S/C32H64O11Si5/c1-18-22-23(19-26(33)40-45(6,7)8)24(30(34)35-2)20-36-31(22)39-32-29(43-48(15,16)17)28(42-47(12,13)14)27(41-46(9,10)11)25(38-32)21-37-44(3,4)5/h18,20,22-23,25,27-29,31-32H,1,19,21H2,2-17H3/t22?,23?,25-,27-,28+,29-,31?,32+/m1/s1 |
| InChIKey | UYDCQWXJFIKEIN-QUHNMVJZSA-N |
| Mol Weight | 765.3 g/mol |
| Molecular Formula | C32H64O11Si5 |
| Exact Mass | 764.329496 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmqMb3wphYf |
|---|---|
| Name | 2-[3-Ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid, 5tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 764.329495545 u |
| Formula | C32H64O11Si5 |
| InChI | InChI=1S/C32H64O11Si5/c1-18-22-23(19-26(33)40-45(6,7)8)24(30(34)35-2)20-36-31(22)39-32-29(43-48(15,16)17)28(42-47(12,13)14)27(41-46(9,10)11)25(38-32)21-37-44(3,4)5/h18,20,22-23,25,27-29,31-32H,1,19,21H2,2-17H3/t22?,23?,25-,27-,28+,29-,31?,32+/m1/s1 |
| InChIKey | UYDCQWXJFIKEIN-QUHNMVJZSA-N |
| Molecular Weight | 765.278 g/mol |
| SMILES | C1(C(C(OC=C1C(OC)=O)O[C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H])C=C)CC(O[Si](C)(C)C)=O |