| SpectraBase Compound ID | DVrQWZR4VyH |
|---|---|
| InChI | InChI=1S/C58H98S2/c1-13-41(37(3)4)17-15-39(7)49-23-25-51-47-21-19-43-35-45(27-31-55(43,9)53(47)29-33-57(49,51)11)59-60-46-28-32-56(10)44(36-46)20-22-48-52-26-24-50(58(52,12)34-30-54(48)56)40(8)16-18-42(14-2)38(5)6/h19-20,37-42,45-54H,13-18,21-36H2,1-12H3 |
| InChIKey | VGONQMPEJBFTBZ-UHFFFAOYSA-N |
| Mol Weight | 859.5 g/mol |
| Molecular Formula | C58H98S2 |
| Exact Mass | 858.710996 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CVJlPsBHdZ2 |
|---|---|
| Name | Thiositosterol disulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 858.710995504 u |
| Formula | C58H98S2 |
| InChI | InChI=1S/C58H98S2/c1-13-41(37(3)4)17-15-39(7)49-23-25-51-47-21-19-43-35-45(27-31-55(43,9)53(47)29-33-57(49,51)11)59-60-46-28-32-56(10)44(36-46)20-22-48-52-26-24-50(58(52,12)34-30-54(48)56)40(8)16-18-42(14-2)38(5)6/h19-20,37-42,45-54H,13-18,21-36H2,1-12H3 |
| InChIKey | VGONQMPEJBFTBZ-UHFFFAOYSA-N |
| Molecular Weight | 859.542 g/mol |
| SMILES | C1(CCC2(C(C1)=CCC1C2CCC2(C1CCC2C(C)CCC(CC)C(C)C)C)C)SSC1CCC2(C(C1)=CCC1C2CCC2(C1CCC2C(C)CCC(CC)C(C)C)C)C |