| SpectraBase Compound ID | BsVZrvfCOII |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-18(2)8-7-9-19(3)22-13-14-23-21-12-11-20-10-5-6-16-27(20,25(28)29)24(21)15-17-26(22,23)4/h5-6,18-24H,7-17H2,1-4H3,(H,28,29)/t19-,20-,21+,22-,23+,24+,26-,27-/m1/s1 |
| InChIKey | RQBJVYRAOZFFMZ-AJZCURPISA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G3bt9gd8ptb |
|---|---|
| Name | Cholest-2-en-19-oic acid, (5.alpha.)- |
| Alternate Name(s) | (5alpha)-cholest-2-en-19-oic acid 19-Carboxy-5.alpha.-cholest-2-ene 5.alpha.-cholest-2-en-19-oic acid |
| CAS Registry Number | 28809-50-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-18(2)8-7-9-19(3)22-13-14-23-21-12-11-20-10-5-6-16-27(20,25(28)29)24(21)15-17-26(22,23)4/h5-6,18-24H,7-17H2,1-4H3,(H,28,29)/t19-,20-,21+,22-,23+,24+,26-,27-/m1/s1 |
| InChIKey | RQBJVYRAOZFFMZ-AJZCURPISA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | OC([C@]12[C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC=CC1)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])=O |
| SPLASH | splash10-0zfr-0009400000-32d0c1d33ceb0df52ef2 |
| Source of Spectrum | O-4-379-5 |
| Wiley ID | 1369666 |