| SpectraBase Compound ID | IM0Ism8KmT2 |
|---|---|
| InChI | InChI=1S/C28H48O3/c1-16(2)17(3)7-8-18(4)22-11-12-23-21-10-9-19-13-20(29)14-25(31)28(19,6)26(21)24(30)15-27(22,23)5/h9,16-18,20-26,29-31H,7-8,10-15H2,1-6H3/t17?,18-,20-,21?,22-,23+,24-,25+,26-,27-,28-/m1/s1 |
| InChIKey | BIYANMICVIESRU-HFPBYZTDSA-N |
| Mol Weight | 432.7 g/mol |
| Molecular Formula | C28H48O3 |
| Exact Mass | 432.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tt3ahSuKkn |
|---|---|
| Name | 24(.xi.)-Methylcholest-5-ene-1.alpha.,3.beta.,11.alpha.-triol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.360345403 u |
| Formula | C28H48O3 |
| InChI | InChI=1S/C28H48O3/c1-16(2)17(3)7-8-18(4)22-11-12-23-21-10-9-19-13-20(29)14-25(31)28(19,6)26(21)24(30)15-27(22,23)5/h9,16-18,20-26,29-31H,7-8,10-15H2,1-6H3/t17?,18-,20-,21?,22-,23+,24-,25+,26-,27-,28-/m1/s1 |
| InChIKey | BIYANMICVIESRU-HFPBYZTDSA-N |
| Molecular Weight | 432.689 g/mol |
| SMILES | [C@@]12([C@](C3CC=C4[C@@]([C@]3([C@@](C2)(O)[H])[H])([C@](C[C@](O)(C4)[H])(O)[H])C)(CC[C@@]1([C@@](CCC(C(C)C)C)(C)[H])[H])[H])C |