| SpectraBase Compound ID | 12W2GPuQaGc |
|---|---|
| InChI | InChI=1S/C34H52O5S/c1-21-6-10-26(11-7-21)40(36,37)38-20-22(2)8-13-30-23(3)32-31(39-30)19-29-27-12-9-24-18-25(35)14-16-33(24,4)28(27)15-17-34(29,32)5/h6-7,10-11,22-25,27-32,35H,8-9,12-20H2,1-5H3 |
| InChIKey | QEDMAJULBILSAR-UHFFFAOYSA-N |
| Mol Weight | 572.8 g/mol |
| Molecular Formula | C34H52O5S |
| Exact Mass | 572.353546 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXetPWmE6xR |
|---|---|
| Name | Dihydrosarsasapogenin 26-tosylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 572.353545943 u |
| Formula | C34H52O5S |
| InChI | InChI=1S/C34H52O5S/c1-21-6-10-26(11-7-21)40(36,37)38-20-22(2)8-13-30-23(3)32-31(39-30)19-29-27-12-9-24-18-25(35)14-16-33(24,4)28(27)15-17-34(29,32)5/h6-7,10-11,22-25,27-32,35H,8-9,12-20H2,1-5H3 |
| InChIKey | QEDMAJULBILSAR-UHFFFAOYSA-N |
| Molecular Weight | 572.845 g/mol |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C)CCC1OC2C(C1C)C1(C)CCC3C4(C)CCC(O)CC4CCC3C1C2 |