| SpectraBase Compound ID | IBUMWNv8rmv |
|---|---|
| InChI | InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,16-20,22-26,29-30H,9-15H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25+,26-,27+,28+/m0/s1 |
| InChIKey | HGGDUZQCHPXQPL-AETBQYTDSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C28H46O2 |
| Exact Mass | 414.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDXPQXVyrhZ |
|---|---|
| Name | (22E,24R)-24-Methyl-5.alpha.-cholesta-7,22-diene-3.beta.,6.alpha.-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.349780719 u |
| Formula | C28H46O2 |
| InChI | InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,16-20,22-26,29-30H,9-15H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25+,26-,27+,28+/m0/s1 |
| InChIKey | HGGDUZQCHPXQPL-AETBQYTDSA-N |
| Molecular Weight | 414.674 g/mol |
| SMILES | [C@]1(CC[C@]2([C@](C1)([C@](C=C1[C@@]3(CC[C@]([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])(O)[H])[H])C)(O)[H] |