| SpectraBase Compound ID | JD2cInAzgaH |
|---|---|
| InChI | InChI=1S/C34H54O3S/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-12-26-22-27(37-38(35,36)28-13-10-24(3)11-14-28)18-20-33(26,5)32(29)19-21-34(30,31)6/h10-11,13-14,23,25-27,29-32H,7-9,12,15-22H2,1-6H3/t25-,26+,27+,29?,30-,31?,32?,33+,34-/m1/s1 |
| InChIKey | IAEKFZXJTDNGTI-XTFNIXKOSA-N |
| Mol Weight | 542.9 g/mol |
| Molecular Formula | C34H54O3S |
| Exact Mass | 542.379367 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BNRwqsbMvXD |
|---|---|
| Name | 5.alpha.-Cholestan-3.beta.-yl tosylate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H54O3S |
| InChI | InChI=1S/C34H54O3S/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-12-26-22-27(37-38(35,36)28-13-10-24(3)11-14-28)18-20-33(26,5)32(29)19-21-34(30,31)6/h10-11,13-14,23,25-27,29-32H,7-9,12,15-22H2,1-6H3/t25-,26+,27+,29?,30-,31?,32?,33+,34-/m1/s1 |
| InChIKey | IAEKFZXJTDNGTI-XTFNIXKOSA-N |
| Molecular Weight | 542.863 g/mol |
| SMILES | [C@]1(OS(c2ccc(cc2)C)(=O)=O)(C[C@@]2(CCC3C4CC[C@@]([C@]4(CCC3[C@]2(CC1)C)C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H] |
| SPLASH | splash10-05fu-3029000000-644b395b5d81a303432f |
| Source of Spectrum | U-1995-894-6 |
| Synonyms | (3beta,5alpha)-cholestan-3-yl 4-methylbenzenesulfonate |
| Wiley ID | 766880 |