| SpectraBase Compound ID | FTnJydQeDkm |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-19(18-32-21(3)30)7-6-8-20(2)25-11-12-26-24-10-9-22-17-23(31)13-15-28(22,4)27(24)14-16-29(25,26)5/h9,19-20,23-27,31H,6-8,10-18H2,1-5H3/t19-,20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | LJCYYMJXNRXVKP-DSBBWIEISA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JccBLYnw5Yw |
|---|---|
| Name | (25R)-Cholest-5-ene-3.beta.,26-diol 26-acetate |
| Alternate Name(s) | (3beta,25R)-3-hydroxycholest-5-en-27-yl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-19(18-32-21(3)30)7-6-8-20(2)25-11-12-26-24-10-9-22-17-23(31)13-15-28(22,4)27(24)14-16-29(25,26)5/h9,19-20,23-27,31H,6-8,10-18H2,1-5H3/t19-,20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | LJCYYMJXNRXVKP-DSBBWIEISA-N |
| Molecular Weight | 444.700 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CCC[C@](COC(=O)C)(C)[H])(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-004i-0020900000-80054cce86273236f3b4 |
| Source of Spectrum | F-53-8133-7 |
| Wiley ID | 802464 |