| SpectraBase Compound ID | IgKToxaN90K |
|---|---|
| InChI | InChI=1S/C27H40O3S/c1-19-6-9-22(10-7-19)31(28,29)30-18-21-17-27-15-12-23-25(2,3)13-5-14-26(23,4)24(27)11-8-20(21)16-27/h6-7,9-10,20-21,23-24H,5,8,11-18H2,1-4H3/t20?,21?,23-,24+,26-,27?/m1/s1 |
| InChIKey | XPQRIUVEDHBCCX-DYWVUBAWSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C27H40O3S |
| Exact Mass | 444.269816 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8M59VcMHEar |
|---|---|
| Name | ent-17-Tosyloxykaurane |
| Alternate Name(s) | (5beta,9beta,10alpha)-kauran-17-yl 4-methylbenzenesulfonate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O3S |
| InChI | InChI=1S/C27H40O3S/c1-19-6-9-22(10-7-19)31(28,29)30-18-21-17-27-15-12-23-25(2,3)13-5-14-26(23,4)24(27)11-8-20(21)16-27/h6-7,9-10,20-21,23-24H,5,8,11-18H2,1-4H3/t20?,21?,23-,24+,26-,27?/m1/s1 |
| InChIKey | XPQRIUVEDHBCCX-DYWVUBAWSA-N |
| Molecular Weight | 444.674 g/mol |
| SMILES | C(OS(c1ccc(cc1)C)(=O)=O)C1CC23[C@@]([C@@]4(CCCC([C@]4(CC3)[H])(C)C)C)([H])CCC1C2 |
| SPLASH | splash10-0abc-0290300000-c25141542df51102b658 |
| Source of Spectrum | B-40-476-9 |
| Wiley ID | 1386103 |