| SpectraBase Compound ID | JAVIulJPO6f |
|---|---|
| InChI | InChI=1S/C26H40O2/c1-16(2)6-7-17(3)20-8-9-21-24-22(11-13-26(20,21)5)25(4)12-10-19(27)14-18(25)15-23(24)28/h6-7,15-17,19-22,24,27H,8-14H2,1-5H3/b7-6+/t17-,19+,20-,21+,22+,24+,25+,26-/m1/s1 |
| InChIKey | JJMODZRVBRGXDA-QWJKVHSBSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C26H40O2 |
| Exact Mass | 384.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HOrCSVcGaX3 |
|---|---|
| Name | (22E)-3.beta.-Hydroxy-24-nor-cholesta-5,22-dien-7-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.302830526 u |
| Formula | C26H40O2 |
| InChI | InChI=1S/C26H40O2/c1-16(2)6-7-17(3)20-8-9-21-24-22(11-13-26(20,21)5)25(4)12-10-19(27)14-18(25)15-23(24)28/h6-7,15-17,19-22,24,27H,8-14H2,1-5H3/b7-6+/t17-,19+,20-,21+,22+,24+,25+,26-/m1/s1 |
| InChIKey | JJMODZRVBRGXDA-QWJKVHSBSA-N |
| Molecular Weight | 384.604 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)=CC([C@]1([C@@]3(CC[C@]([C@@](\C=C\C(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)(O)[H] |