| SpectraBase Compound ID | B4m53j0juKz |
|---|---|
| InChI | InChI=1S/C30H36O18/c1-41-14-5-10(4-12(32)27(14)42-2)11-8-44-13-6-15(28(43-3)22(36)18(13)19(11)33)46-30-26(40)24(38)21(35)17(48-30)9-45-29-25(39)23(37)20(34)16(7-31)47-29/h4-6,8,16-17,20-21,23-26,29-32,34-40H,7,9H2,1-3H3/t16-,17+,20-,21+,23+,24-,25-,26+,29-,30+/m0/s1 |
| InChIKey | MMBFBXQUZNSAAJ-CSFHWHCJSA-N |
| Mol Weight | 684.6 g/mol |
| Molecular Formula | C30H36O18 |
| Exact Mass | 684.190164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Gaz4ES8PgC |
|---|---|
| Name | Germanasim C |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 684.190164301 u |
| Formula | C30H36O18 |
| InChI | InChI=1S/C30H36O18/c1-41-14-5-10(4-12(32)27(14)42-2)11-8-44-13-6-15(28(43-3)22(36)18(13)19(11)33)46-30-26(40)24(38)21(35)17(48-30)9-45-29-25(39)23(37)20(34)16(7-31)47-29/h4-6,8,16-17,20-21,23-26,29-32,34-40H,7,9H2,1-3H3/t16-,17+,20-,21+,23+,24-,25-,26+,29-,30+/m0/s1 |
| InChIKey | MMBFBXQUZNSAAJ-CSFHWHCJSA-N |
| Molecular Weight | 684.600 g/mol |
| SMILES | C1=2C(C(C=3C=C(O)C(=C(C3)OC)OC)=COC1=CC(O[C@]1([C@@]([C@@](O)([C@@]([C@](O1)(CO[C@@]1([C@]([C@](O)([C@]([C@@](O1)(CO)[H])(O)[H])[H])(O)[H])[H])[H])(O)[H])[H])(O)[H])[H])=C(C2O)OC)=O |