| SpectraBase Compound ID | BPtZQXfYspT |
|---|---|
| InChI | InChI=1S/C34H50O3/c1-22(2)10-9-11-23(3)26-16-17-27-25-14-15-29-31(35)30(37-32(36)24-12-7-6-8-13-24)19-21-34(29,5)28(25)18-20-33(26,27)4/h6-8,12-13,15,22-23,25-28,30-31,35H,9-11,14,16-21H2,1-5H3/t23-,25?,26-,27?,28?,30+,31?,33-,34-/m1/s1 |
| InChIKey | RANWLJIWXWDDLN-IXXQJFMXSA-N |
| Mol Weight | 506.8 g/mol |
| Molecular Formula | C34H50O3 |
| Exact Mass | 506.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JCcwrLXbiYP |
|---|---|
| Name | 4-Hydroxycholesterylbenzoate |
| Alternate Name(s) | (3beta)-4-hydroxycholest-5-en-3-yl benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H50O3 |
| InChI | InChI=1S/C34H50O3/c1-22(2)10-9-11-23(3)26-16-17-27-25-14-15-29-31(35)30(37-32(36)24-12-7-6-8-13-24)19-21-34(29,5)28(25)18-20-33(26,27)4/h6-8,12-13,15,22-23,25-28,30-31,35H,9-11,14,16-21H2,1-5H3/t23-,25?,26-,27?,28?,30+,31?,33-,34-/m1/s1 |
| InChIKey | RANWLJIWXWDDLN-IXXQJFMXSA-N |
| Molecular Weight | 506.771 g/mol |
| SMILES | OC1C=2[C@@](C3C(C4CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])CC2)(CC[C@@]1(OC(=O)c1ccccc1)[H])C |
| SPLASH | splash10-0a4i-5932000000-560f666ed2cccc96e6ef |
| Source of Spectrum | SD-1992-0-0 |
| Wiley ID | 1399953 |