| SpectraBase Compound ID | Hw6ySLjFN5b |
|---|---|
| InChI | InChI=1S/C28H50O11/c1-11-28(3,35-10)14-12-13-18(2)15-36-27-25(34-9)23(32-7)22(31-6)20(39-27)17-38-26-24(33-8)21(30-5)19(29-4)16-37-26/h11,13,19-27H,1,12,14-17H2,2-10H3/b18-13+/t19-,20+,21-,22+,23-,24+,25+,26-,27+,28?/m0/s1 |
| InChIKey | HBBTZVMVROFTTC-ISGQSRIUSA-N |
| Mol Weight | 562.7 g/mol |
| Molecular Formula | C28H50O11 |
| Exact Mass | 562.335312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5YgFxRrN44l |
|---|---|
| Name | Itoside o, 7me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 562.335312419 u |
| Formula | C28H50O11 |
| InChI | InChI=1S/C28H50O11/c1-11-28(3,35-10)14-12-13-18(2)15-36-27-25(34-9)23(32-7)22(31-6)20(39-27)17-38-26-24(33-8)21(30-5)19(29-4)16-37-26/h11,13,19-27H,1,12,14-17H2,2-10H3/b18-13+/t19-,20+,21-,22+,23-,24+,25+,26-,27+,28?/m0/s1 |
| InChIKey | HBBTZVMVROFTTC-ISGQSRIUSA-N |
| Molecular Weight | 562.697 g/mol |
| SMILES | [C@@]1(OC\C(=C\CCC(C=C)(C)OC)C)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(CO[C@]1([C@](OC)([C@@](OC)([C@@](OC)(CO1)[H])[H])[H])[H])[H])[H])[H])[H])[H] |