| SpectraBase Compound ID | Bl5QfbNEnGE |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h9,18-21,23-25,28-29H,5-8,10-17H2,1-4H3/t18-,19+,20-,21-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | KATOJKSBOJTNHO-PHKFRDKFSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | R9A3fWX1G1 |
|---|---|
| Name | 26-Hydroxy-5.alpha.-cholest-7-en-3.beta.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.349780719 u |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h9,18-21,23-25,28-29H,5-8,10-17H2,1-4H3/t18-,19+,20-,21-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | KATOJKSBOJTNHO-PHKFRDKFSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](CCC[C@@](CO)(C)[H])(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@@](C[C@@]2(CC1)[H])(O)[H])C)[H])[H] |