![3.beta.-Acetoxy-7-[N-(cyanoimino)]-3-acetoxy-5-cholestene](/api/spectrum/Hx7WhliFj4Y/structure.png?h=300&w=458 "3.beta.-Acetoxy-7-[N-(cyanoimino)]-3-acetoxy-5-cholestene")
| SpectraBase Compound ID | B5eBPAz5wGa |
|---|---|
| InChI | InChI=1S/C30H46N2O2/c1-19(2)8-7-9-20(3)24-10-11-25-28-26(13-15-30(24,25)6)29(5)14-12-23(34-21(4)33)16-22(29)17-27(28)32-18-31/h17,19-20,23-26,28H,7-16H2,1-6H3/b32-27-/t20-,23+,24-,25+,26+,28+,29+,30-/m1/s1 |
| InChIKey | PVVZOCOJLZQYNG-BPSSMSSDSA-N |
| Mol Weight | 466.7 g/mol |
| Molecular Formula | C30H46N2O2 |
| Exact Mass | 466.355929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hx7WhliFj4Y |
|---|---|
| Name | 3.beta.-Acetoxy-7-[N-(cyanoimino)]-3-acetoxy-5-cholestene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 466.355928727 u |
| Formula | C30H46N2O2 |
| InChI | InChI=1S/C30H46N2O2/c1-19(2)8-7-9-20(3)24-10-11-25-28-26(13-15-30(24,25)6)29(5)14-12-23(34-21(4)33)16-22(29)17-27(28)32-18-31/h17,19-20,23-26,28H,7-16H2,1-6H3/b32-27-/t20-,23+,24-,25+,26+,28+,29+,30-/m1/s1 |
| InChIKey | PVVZOCOJLZQYNG-BPSSMSSDSA-N |
| Molecular Weight | 466.710 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(\C(C=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)=N/C#N)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |