![[1'H]-5'-(Methylthio)pyrazolo[3,2-c]cholest-4-ene](/api/spectrum/FkYnPJZUBM7/structure.png?h=300&w=458 "[1'H]-5'-(Methylthio)pyrazolo[3,2-c]cholest-4-ene")
| SpectraBase Compound ID | LrexjVDtz0m |
|---|---|
| InChI | InChI=1S/C29H46N2S/c1-18(2)8-7-9-19(3)23-12-13-24-21-11-10-20-16-26-22(27(32-6)31-30-26)17-29(20,5)25(21)14-15-28(23,24)4/h16,18-19,21,23-25H,7-15,17H2,1-6H3,(H,30,31) |
| InChIKey | JSHIQTKLNKXMNK-UHFFFAOYSA-N |
| Mol Weight | 454.8 g/mol |
| Molecular Formula | C29H46N2S |
| Exact Mass | 454.338171 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FkYnPJZUBM7 |
|---|---|
| Name | [1'H]-5'-(Methylthio)pyrazolo[3,2-c]cholest-4-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46N2S |
| InChI | InChI=1S/C29H46N2S/c1-18(2)8-7-9-19(3)23-12-13-24-21-11-10-20-16-26-22(27(32-6)31-30-26)17-29(20,5)25(21)14-15-28(23,24)4/h16,18-19,21,23-25H,7-15,17H2,1-6H3,(H,30,31) |
| InChIKey | JSHIQTKLNKXMNK-UHFFFAOYSA-N |
| Molecular Weight | 454.761 g/mol |
| SMILES | [nH]1nc(c2c1C=C1C(C2)(C2CCC3(C(CCC3C2CC1)C(CCCC(C)C)C)C)C)SC |
| SPLASH | splash10-001i-0009000000-27ce6ce09eda716ed8dc |
| Source of Spectrum | Y1-38-849-5 |
| Wiley ID | 1527767 |