| SpectraBase Compound ID | 4JLQzC1IXmA |
|---|---|
| InChI | InChI=1S/C34H56O6/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(13-15-33(22,5)27(24)14-16-34(25,26)6)39-32-31(38)30(37)29(36)28(18-35)40-32/h7-8,10,19-23,25-32,35-38H,9,11-18H2,1-6H3/t20?,21-,22?,23?,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-/m1/s1 |
| InChIKey | STMQUYFZHIRRTE-OAWOAGGRSA-N |
| Mol Weight | 560.8 g/mol |
| Molecular Formula | C34H56O6 |
| Exact Mass | 560.40769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9oXNZDEjssh |
|---|---|
| Name | Ergosta-7,22-dien-3-o-.beta.-D-glucopyranoside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 560.407689517 u |
| Formula | C34H56O6 |
| InChI | InChI=1S/C34H56O6/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(13-15-33(22,5)27(24)14-16-34(25,26)6)39-32-31(38)30(37)29(36)28(18-35)40-32/h7-8,10,19-23,25-32,35-38H,9,11-18H2,1-6H3/t20?,21-,22?,23?,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-/m1/s1 |
| InChIKey | STMQUYFZHIRRTE-OAWOAGGRSA-N |
| Molecular Weight | 560.816 g/mol |
| SMILES | C1=2[C@]3([C@]([C@@]([C@@](C=CC(C(C)C)C)(C)[H])(CC3)[H])(C)CC[C@@]1([C@]1(CCC(O[C@]3([C@@]([C@@](O)([C@@]([C@](O3)(CO)[H])(O)[H])[H])(O)[H])[H])CC1CC2)C)[H])[H] |