| SpectraBase Compound ID | BJMtV9ioiH2 |
|---|---|
| InChI | InChI=1S/C27H30N2O6S/c1-17-4-7-21(8-5-17)36(31,32)35-26-16-29-13-11-19(26)14-25(29)27(34-18(2)30)22-10-12-28-24-9-6-20(33-3)15-23(22)24/h4-10,12,15,19,25-27H,11,13-14,16H2,1-3H3/t19-,25-,26-,27-/m1/s1 |
| InChIKey | ROWLFQDLGSUJJH-CEWWTIOHSA-N |
| Mol Weight | 510.61 g/mol |
| Molecular Formula | C27H30N2O6S |
| Exact Mass | 510.182458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6ZitrJ6ZPHd |
|---|---|
| Name | exo-(3R,8R,9R)-9-Acetoxy-6'-methoxy-3-tosyloxyrubane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H30N2O6S |
| InChI | InChI=1S/C27H30N2O6S/c1-17-4-7-21(8-5-17)36(31,32)35-26-16-29-13-11-19(26)14-25(29)27(34-18(2)30)22-10-12-28-24-9-6-20(33-3)15-23(22)24/h4-10,12,15,19,25-27H,11,13-14,16H2,1-3H3/t19-,25-,26-,27-/m1/s1 |
| InChIKey | ROWLFQDLGSUJJH-CEWWTIOHSA-N |
| Molecular Weight | 510.605 g/mol |
| SMILES | [C@]1(OS(c2ccc(C)cc2)(=O)=O)(CN2[C@](C[C@]1(CC2)[H])([C@@](c1c2c(ncc1)ccc(c2)OC)(OC(=O)C)[H])[H])[H] |
| SPLASH | splash10-00di-9201000000-38dc33443c6507ecd7c1 |
| Source of Spectrum | F-53-9157-4 |
| Wiley ID | 802728 |