| SpectraBase Compound ID | FbVbFXSqa3g |
|---|---|
| InChI | InChI=1S/C27H44O/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/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1/i10D/t10?,19-,20?,22+,23-,24+,25+,26+,27- |
| InChIKey | IIPHPVVRBVBREZ-ISPDBKRESA-N |
| Mol Weight | 385.7 g/mol |
| Molecular Formula | C27H432DO |
| Exact Mass | 385.345493 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F5gFiMQwEBb |
|---|---|
| Name | Cholest-1-en-3-one-7-D |
| CAS Registry Number | 104292-57-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H43DO |
| InChI | InChI=1S/C27H44O/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/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1/i10D/t10?,19-,20?,22+,23-,24+,25+,26+,27- |
| InChIKey | IIPHPVVRBVBREZ-ISPDBKRESA-N |
| Molecular Weight | 385.654 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(C(CC4[C@@]([C@]3(CC2)[H])(C=CC(C4)=O)C)[2D])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-00dr-0947000000-933cf79f797a3742be55 |
| Source of Spectrum | C-108-7323-27 |
| Wiley ID | 1362005 |