| SpectraBase Compound ID | LJOYw0sMHI2 |
|---|---|
| InChI | InChI=1S/C28H40O5S/c1-18-5-8-21(9-6-18)34(30,31)33-20-13-15-27(2)19(17-20)7-10-22-23-11-12-25(26(29)32-4)28(23,3)16-14-24(22)27/h5-6,8-9,19-20,22-25H,7,10-17H2,1-4H3/t19-,20-,22+,23+,24+,25-,27+,28+/m1/s1 |
| InChIKey | QMISJJBGYBQJCT-YLMDYZEKSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C28H40O5S |
| Exact Mass | 488.259646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4h8rRLbL9mu |
|---|---|
| Name | METHYL-3-ALPHA-TOSYLOXY-5-BETA-ANDROSTAN-17-BETA-CARBOXYLATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O5S |
| InChI | InChI=1S/C28H40O5S/c1-18-5-8-21(9-6-18)34(30,31)33-20-13-15-27(2)19(17-20)7-10-22-23-11-12-25(26(29)32-4)28(23,3)16-14-24(22)27/h5-6,8-9,19-20,22-25H,7,10-17H2,1-4H3/t19-,20-,22+,23+,24+,25-,27+,28+/m1/s1 |
| InChIKey | QMISJJBGYBQJCT-YLMDYZEKSA-N |
| Literature Reference Author | A.M.SELDES,M.E.DELUCA,E.G.GROS |
| Literature Reference Citation | MAGN.RES.CHEM.,24,185(1986) |
| Literature Reference DOI | 10.1002/mrc.1260240302 |
| Molecular Weight | 488.683 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW18356 |