| SpectraBase Compound ID | HyJNOJxWlJt |
|---|---|
| InChI | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i17+1 |
| InChIKey | HVYWMOMLDIMFJA-CHMPPTJKSA-N |
| Mol Weight | 387.7 g/mol |
| Molecular Formula | C2613CH46O |
| Exact Mass | 387.358221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C3j0ztq11hB |
|---|---|
| Name | Cholest-5-en-3-ol-4-13C, (3.beta.)- |
| Alternate Name(s) | 4-[(13)-C]-cholesterol |
| CAS Registry Number | 99964-70-2 |
| Comments | Original formula: C26[13C]H46O |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O |
| InChI | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i17+1 |
| InChIKey | HVYWMOMLDIMFJA-CHMPPTJKSA-N |
| Molecular Weight | 387.656 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@](CC[C@]23[H])([C@](CC4)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[13CH2]1)C)[H] |
| SPLASH | splash10-000i-0059000000-74ec1136443a27b04b23 |
| Source of Spectrum | KO-12-639-0 |
| Wiley ID | 1363199 |