| SpectraBase Compound ID | 7AGKPK51fmu |
|---|---|
| InChI | InChI=1S/C33H64O12Si5/c1-23-28(24(34)18-19-37-23)40-32-31(44-49(12,13)14)30(43-48(9,10)11)29(42-47(6,7)8)25(39-32)22-38-26(35)20-33(2,45-50(15,16)17)21-27(36)41-46(3,4)5/h18-19,25,29-32H,20-22H2,1-17H3/t25-,29-,30+,31-,32+,33?/m1/s1 |
| InChIKey | KZVDPJOSRNPUPN-JCTRFTPDSA-N |
| Mol Weight | 793.3 g/mol |
| Molecular Formula | C33H64O12Si5 |
| Exact Mass | 792.32441 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4EbdxrW0sS4 |
|---|---|
| Name | Licoagroside B, 5tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 792.324410164 u |
| Formula | C33H64O12Si5 |
| InChI | InChI=1S/C33H64O12Si5/c1-23-28(24(34)18-19-37-23)40-32-31(44-49(12,13)14)30(43-48(9,10)11)29(42-47(6,7)8)25(39-32)22-38-26(35)20-33(2,45-50(15,16)17)21-27(36)41-46(3,4)5/h18-19,25,29-32H,20-22H2,1-17H3/t25-,29-,30+,31-,32+,33?/m1/s1 |
| InChIKey | KZVDPJOSRNPUPN-JCTRFTPDSA-N |
| Molecular Weight | 793.288 g/mol |
| SMILES | [C@]1(OC2=C(OC=CC2=O)C)(O[C@@]([C@]([C@@]([C@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(COC(CC(CC(O[Si](C)(C)C)=O)(C)O[Si](C)(C)C)=O)[H])[H] |