| SpectraBase Compound ID | 7vh4WB7MX8U |
|---|---|
| InChI | InChI=1S/C25H38O4/c1-14-11-22(27)29-21-13-20-18-6-5-16-12-17(28-15(2)26)7-9-24(16,3)19(18)8-10-25(20,4)23(14)21/h14,16-21,23H,5-13H2,1-4H3/t14-,16+,17?,18?,19?,20?,21?,23?,24+,25+/m1/s1 |
| InChIKey | PPSZHYXRXVHMDF-ODJKYSABSA-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 | GuZa3a3yodd |
|---|---|
| Name | 3-Acetoxy-16.beta.-hydroxy-24-nor-5.alpha.-cholan-23-oic Acid - 23->16-.delta.-Lactone |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O4 |
| InChI | InChI=1S/C25H38O4/c1-14-11-22(27)29-21-13-20-18-6-5-16-12-17(28-15(2)26)7-9-24(16,3)19(18)8-10-25(20,4)23(14)21/h14,16-21,23H,5-13H2,1-4H3/t14-,16+,17?,18?,19?,20?,21?,23?,24+,25+/m1/s1 |
| InChIKey | PPSZHYXRXVHMDF-ODJKYSABSA-N |
| Molecular Weight | 402.575 g/mol |
| SMILES | [C@@]12(C(C3CC[C@@]4([C@@](C3CC2)(CCC(OC(=O)C)C4)C)[H])CC2C1[C@@](CC(=O)O2)(C)[H])C |
| SPLASH | splash10-0006-0009000000-9d5aa9032516e35b7bca |
| Source of Spectrum | X4-18-577-0 |
| Wiley ID | 1585517 |