![3.alpha.-[N-(Cyanoamino)]-3H-cholest-3-ene](/api/spectrum/3vzoXL6QNCt/structure.png?h=300&w=458 "3.alpha.-[N-(Cyanoamino)]-3H-cholest-3-ene")
| SpectraBase Compound ID | GtFqyszydxT |
|---|---|
| InChI | InChI=1S/C28H46N2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h17,19-20,22-26,30H,6-16H2,1-5H3/t20?,22?,23?,24?,25?,26?,27-,28+/m0/s1 |
| InChIKey | CXESYAYDMXVPEZ-KZTPHDLDSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C28H46N2 |
| Exact Mass | 410.366099 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3vzoXL6QNCt |
|---|---|
| Name | 3.alpha.-[N-(Cyanoamino)]-3H-cholest-3-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.366099489 u |
| Formula | C28H46N2 |
| InChI | InChI=1S/C28H46N2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h17,19-20,22-26,30H,6-16H2,1-5H3/t20?,22?,23?,24?,25?,26?,27-,28+/m0/s1 |
| InChIKey | CXESYAYDMXVPEZ-KZTPHDLDSA-N |
| Molecular Weight | 410.690 g/mol |
| SMILES | [C@@]12(C(C3CCC=4[C@@](C3CC2)(CCC(NC#N)C4)C)CCC1C(CCCC(C)C)C)C |