| SpectraBase Compound ID | 6LQKYvZmZdz |
|---|---|
| InChI | InChI=1S/C25H38O4/c1-15(4-9-23(28)29)19-7-8-20-18-6-5-17-12-22(27)16(14-26)13-25(17,3)21(18)10-11-24(19,20)2/h14-15,17-21,26H,4-13H2,1-3H3,(H,28,29)/b16-14-/t15-,17-,18+,19-,20+,21+,24-,25+/m1/s1 |
| InChIKey | BQHYVPMWOLFEGW-YNSTZTSLSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C25H38O4 |
| Exact Mass | 402.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IbqzADEgKBa |
|---|---|
| Name | 2-(Hydroxymethylene)-3-oxo-5-.beta.-cholan-24-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O4 |
| InChI | InChI=1S/C25H38O4/c1-15(4-9-23(28)29)19-7-8-20-18-6-5-17-12-22(27)16(14-26)13-25(17,3)21(18)10-11-24(19,20)2/h14-15,17-21,26H,4-13H2,1-3H3,(H,28,29)/b16-14-/t15-,17-,18+,19-,20+,21+,24-,25+/m1/s1 |
| InChIKey | BQHYVPMWOLFEGW-YNSTZTSLSA-N |
| Molecular Weight | 402.575 g/mol |
| SMILES | OC(CC[C@]([C@]1(CC[C@]2([C@]3([C@@]([C@]4(C\C(=C\O)C(C[C@]4(CC3)[H])=O)C)(CC[C@]12C)[H])[H])[H])[H])(C)[H])=O |
| SPLASH | splash10-014r-0009000000-369da4ae8cb86753311a |
| Source of Spectrum | SK-31-1216-4 |
| Wiley ID | 881856 |