| SpectraBase Compound ID | 6vKS8XcrPfO |
|---|---|
| InChI | InChI=1S/C32H66O11Si5/c1-21-26-22(18-25(37-21)40-45(6,7)8)23(30(33)34-2)19-35-31(26)39-32-29(43-48(15,16)17)28(42-47(12,13)14)27(41-46(9,10)11)24(38-32)20-36-44(3,4)5/h19,21-22,24-29,31-32H,18,20H2,1-17H3/t21-,22+,24+,25?,26+,27+,28-,29+,31-,32-/m0/s1 |
| InChIKey | AKWMCCFXDQJRKA-BCOWEOPASA-N |
| Mol Weight | 767.3 g/mol |
| Molecular Formula | C32H66O11Si5 |
| Exact Mass | 766.345146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CoPHgLoSihV |
|---|---|
| Name | Morroniside, 5tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 766.345145609 u |
| Formula | C32H66O11Si5 |
| InChI | InChI=1S/C32H66O11Si5/c1-21-26-22(18-25(37-21)40-45(6,7)8)23(30(33)34-2)19-35-31(26)39-32-29(43-48(15,16)17)28(42-47(12,13)14)27(41-46(9,10)11)24(38-32)20-36-44(3,4)5/h19,21-22,24-29,31-32H,18,20H2,1-17H3/t21-,22+,24+,25?,26+,27+,28-,29+,31-,32-/m0/s1 |
| InChIKey | AKWMCCFXDQJRKA-BCOWEOPASA-N |
| Molecular Weight | 767.294 g/mol |
| SMILES | [C@]1([C@@]2([C@](CC(O1)O[Si](C)(C)C)(C(=CO[C@]2(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])[H])C(=O)OC)[H])[H])(C)[H] |