| SpectraBase Compound ID | hpVEiXLQIC |
|---|---|
| InChI | InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16?,17-,18?,19?,20?,21-,23?,24+,25-/m1/s1 |
| InChIKey | GRQROVWZGGDYSW-ONQFWAMASA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C25H42O4 |
| Exact Mass | 406.30831 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 1SSHwnVIDTB |
|---|---|
| Name | Methylchenodeoxycholate |
| Source of Sample | Steraloids Inc. |
| Catalog Number | C0975-00 |
| Lot Number | 1640 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O4 |
| InChI | InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16?,17-,18?,19?,20?,21-,23?,24+,25-/m1/s1 |
| InChIKey | GRQROVWZGGDYSW-ONQFWAMASA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 406.607 g/mol |
| SMILES | O[C@@]1(CC2C[C@@](CC[C@@]2(C2CC[C@]3(C(C12)CCC3[C@@](CCC(OC)=O)(C)[H])C)C)(O)[H])[H] |
| Scan Speed (number) | 5 |
| Technique | KBr0 |