| SpectraBase Compound ID | 6NGTJZM2KKL |
|---|---|
| InChI | InChI=1S/C25H40O2S2/c1-16(26)27-18-9-11-23(2)17(15-18)5-6-19-20-7-8-22(25(4)28-13-14-29-25)24(20,3)12-10-21(19)23/h17-22H,5-15H2,1-4H3/t17-,18-,19+,20+,21+,22+,23+,24+/m1/s1 |
| InChIKey | IFYPJEMHWPXTDC-HIOAPMMISA-N |
| Mol Weight | 436.7 g/mol |
| Molecular Formula | C25H40O2S2 |
| Exact Mass | 436.246973 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wD0fb1x8RM |
|---|---|
| Name | 3α-hydroxy-5β-pregnan-20-one, cyclic ethylene mercaptole, acetate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O2S2 |
| InChI | InChI=1S/C25H40O2S2/c1-16(26)27-18-9-11-23(2)17(15-18)5-6-19-20-7-8-22(25(4)28-13-14-29-25)24(20,3)12-10-21(19)23/h17-22H,5-15H2,1-4H3/t17-,18-,19+,20+,21+,22+,23+,24+/m1/s1 |
| InChIKey | IFYPJEMHWPXTDC-HIOAPMMISA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41652M |
| Solvent | CDCl3 |