| SpectraBase Compound ID | KeXOxwZnavM |
|---|---|
| InChI | InChI=1S/C28H48O/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-28(18-29-28)16-15-26(21,4)25(22)13-14-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22?,23-,24?,25?,26+,27-,28-/m1/s1 |
| InChIKey | QCGQJYSFVPHJLI-UOZRULBLSA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C28H48O |
| Exact Mass | 400.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ERW8Fq2sPWR |
|---|---|
| Name | 3,3'-Anhydro-3.beta.-hydroxymethyl-5.alpha.-cholestan-3.alpha.-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O |
| InChI | InChI=1S/C28H48O/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-28(18-29-28)16-15-26(21,4)25(22)13-14-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22?,23-,24?,25?,26+,27-,28-/m1/s1 |
| InChIKey | QCGQJYSFVPHJLI-UOZRULBLSA-N |
| Molecular Weight | 400.691 g/mol |
| SMILES | [C@@]12(C(C3CCC4[C@@](C3CC2)(CC[C@@]2(OC2)C4)C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH | splash10-052f-9200000000-8d790543571ab7c64e71 |
| Source of Spectrum | KD-12-805-8 |
| Wiley ID | 1634317 |