| SpectraBase Compound ID | Er1v0kGnzGM |
|---|---|
| InChI | InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)25-24(29)16-23-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-25,28-29H,6-16H2,1-5H3 |
| InChIKey | NVAFVEOKZNIFRR-UHFFFAOYSA-N |
| Mol Weight | 404.7 g/mol |
| Molecular Formula | C27H48O2 |
| Exact Mass | 404.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 86MI6j7T8xQ |
|---|---|
| Name | Cholestane-3,16-diol |
| Alternate Name(s) | Coprostan-3.beta.,16.beta.-diol 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol |
| CAS Registry Number | 105119-53-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H48O2 |
| InChI | InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)25-24(29)16-23-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-25,28-29H,6-16H2,1-5H3 |
| InChIKey | NVAFVEOKZNIFRR-UHFFFAOYSA-N |
| Molecular Weight | 404.679 g/mol |
| SMILES | OC1CC2C(CCC3C2CCC2C3(CCC(C2)O)C)(C1C(C)CCCC(C)C)C |
| SPLASH | splash10-052f-9410000000-229184e4d489b25db2cc |
| Source of Spectrum | NP-14-5793-0 |
| Wiley ID | 1111847 |