| SpectraBase Compound ID | 7C9VJ3mPWiH |
|---|---|
| InChI | InChI=1S/C26H46O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-27-24-11-6-7-15-26(24,5)23(20)14-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,25-,26-/m1/s1 |
| InChIKey | NCCPJAMPQAFNQJ-RISHNNBLSA-N |
| Mol Weight | 374.7 g/mol |
| Molecular Formula | C26H46O |
| Exact Mass | 374.354866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GeSYOl99cjB |
|---|---|
| Name | 6-Oxacholestane, (5.alpha.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.354866100 u |
| Formula | C26H46O |
| InChI | InChI=1S/C26H46O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-27-24-11-6-7-15-26(24,5)23(20)14-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,25-,26-/m1/s1 |
| InChIKey | NCCPJAMPQAFNQJ-RISHNNBLSA-N |
| Molecular Weight | 374.653 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CO[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |