| SpectraBase Spectrum ID |
LwdawQ28Bl0 |
| Name |
Methyl 3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate, 4tms |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
660.300139514 u |
| Formula |
C29H56O9Si4 |
| InChI |
InChI=1S/C29H56O9Si4/c1-31-22-17-15-21(16-18-25(30)32-2)23(19-22)34-29-28(38-42(12,13)14)27(37-41(9,10)11)26(36-40(6,7)8)24(35-29)20-33-39(3,4)5/h15,17,19,24,26-29H,16,18,20H2,1-14H3/t24-,26-,27+,28-,29-/m1/s1 |
| InChIKey |
FEAFDRHRRGCQKM-KRZJEZTLSA-N |
| Molecular Weight |
661.098 g/mol |
| SMILES |
C1=C(C=C(C(=C1)CCC(OC)=O)O[C@@]1(O[C@@]([C@]([C@@]([C@]1(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])OC |
![Methyl 3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate, 4tms](/api/spectrum/LwdawQ28Bl0/structure.png?h=300&w=458 "Methyl 3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate, 4tms")
