| SpectraBase Compound ID | 8d2WhmYwE7H |
|---|---|
| InChI | InChI=1S/C34H52O3/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/h6-8,12-13,22-23,25-31,35H,9-11,14-21H2,1-5H3/t23-,25+,26-,27?,28?,29?,30-,31+,33-,34-/m1/s1 |
| InChIKey | MXRRPBIVCAIDFQ-QRRIXVJMSA-N |
| Mol Weight | 508.8 g/mol |
| Molecular Formula | C34H52O3 |
| Exact Mass | 508.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1F1DUixats |
|---|---|
| Name | 4-.alpha.-D-cholestan-3-.alpha.-olbenz |
| Alternate Name(s) | (3alpha,4alpha)-4-hydroxycholestan-3-yl benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H52O3 |
| InChI | InChI=1S/C34H52O3/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/h6-8,12-13,22-23,25-31,35H,9-11,14-21H2,1-5H3/t23-,25+,26-,27?,28?,29?,30-,31+,33-,34-/m1/s1 |
| InChIKey | MXRRPBIVCAIDFQ-QRRIXVJMSA-N |
| Molecular Weight | 508.787 g/mol |
| SMILES | O[C@]1(C2[C@@](C3[C@@](C4CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])([H])CC2)(CC[C@]1(OC(=O)c1ccccc1)[H])C)[H] |
| SPLASH | splash10-00di-8958000000-5dd96e35e95a5c519d63 |
| Source of Spectrum | SD-1992-0-0 |
| Wiley ID | 1400264 |