| SpectraBase Compound ID | 2NlGXmWZuoO |
|---|---|
| InChI | InChI=1S/C26H41NO3/c1-16(5-10-24(27)29)21-8-9-22-20-7-6-18-15-19(30-17(2)28)11-13-25(18,3)23(20)12-14-26(21,22)4/h6,16,19-23H,5,7-15H2,1-4H3,(H2,27,29)/t16-,19+,20+,21-,22+,23+,25+,26-/m1/s1 |
| InChIKey | XBFLQDKCAPTHGK-WBNKZLQISA-N |
| Mol Weight | 415.6 g/mol |
| Molecular Formula | C26H41NO3 |
| Exact Mass | 415.308644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IPsWBfgGbWb |
|---|---|
| Name | 3.beta.-Acetoxy-5-cholenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 415.308644181 u |
| Formula | C26H41NO3 |
| InChI | InChI=1S/C26H41NO3/c1-16(5-10-24(27)29)21-8-9-22-20-7-6-18-15-19(30-17(2)28)11-13-25(18,3)23(20)12-14-26(21,22)4/h6,16,19-23H,5,7-15H2,1-4H3,(H2,27,29)/t16-,19+,20+,21-,22+,23+,25+,26-/m1/s1 |
| InChIKey | XBFLQDKCAPTHGK-WBNKZLQISA-N |
| Molecular Weight | 415.618 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCC(N)=O)[H])[H])[H])C)[H])[H])C)(OC(C)=O)[H] |