| SpectraBase Compound ID | B17NHj1fPu7 |
|---|---|
| InChI | InChI=1S/C32H52O4/c1-21(9-14-28(33)30(2,3)34)25-12-13-26-24-11-10-22-20-23(36-29-8-6-7-19-35-29)15-17-31(22,4)27(24)16-18-32(25,26)5/h10-11,21,23,25-29,33-34H,6-9,12-20H2,1-5H3/t21-,23+,25-,26+,27+,28-,29?,31+,32-/m1/s1 |
| InChIKey | JOHUUDQKPKIPOG-UWQDUIQJSA-N |
| Mol Weight | 500.8 g/mol |
| Molecular Formula | C32H52O4 |
| Exact Mass | 500.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KrTOBvSxyil |
|---|---|
| Name | (24R)-3-beta-(2H-Tetrahydropyran-2-yloxy)cholesta-5,7-diene-24,25-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 500.386560150 u |
| Formula | C32H52O4 |
| InChI | InChI=1S/C32H52O4/c1-21(9-14-28(33)30(2,3)34)25-12-13-26-24-11-10-22-20-23(36-29-8-6-7-19-35-29)15-17-31(22,4)27(24)16-18-32(25,26)5/h10-11,21,23,25-29,33-34H,6-9,12-20H2,1-5H3/t21-,23+,25-,26+,27+,28-,29?,31+,32-/m1/s1 |
| InChIKey | JOHUUDQKPKIPOG-UWQDUIQJSA-N |
| Molecular Weight | 500.764 g/mol |
| SMILES | [C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@]([H])(CC[C@@]4([H])C3=CC=C2C1)[C@@](CC[C@](C(C)(C)O)(O)[H])(C)[H])C)[H])C)(OC1CCCCO1)[H] |