| SpectraBase Compound ID | 8ooCr2aukYR |
|---|---|
| InChI | InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-15-23(29)24-25(30)22(28)12-14-27(24,5)21(18)11-13-26(19,20)4/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19-,20+,21+,22+,23-,24-,25?,26-,27-/m1/s1 |
| InChIKey | PZIDDRUOBMIGEO-JBBPTASVSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C27H46O3 |
| Exact Mass | 418.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 26BXjvh2jPj |
|---|---|
| Name | Cholest-7-ene-3.beta.,5.beta.,6.beta.-triol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.344695338 u |
| Formula | C27H46O3 |
| InChI | InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-15-23(29)24-25(30)22(28)12-14-27(24,5)21(18)11-13-26(19,20)4/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19-,20+,21+,22+,23-,24-,25?,26-,27-/m1/s1 |
| InChIKey | PZIDDRUOBMIGEO-JBBPTASVSA-N |
| Molecular Weight | 418.662 g/mol |
| SMILES | C1[C@](O)(C([C@@]2([C@](C1)([C@@]1(C([C@]3([C@]([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])(C)CC1)[H])=C[C@]2(O)[H])[H])C)[H])O)[H] |