SpectraBase Compound ID | AuXDV5i8fVf |
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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-IFJDUOSNSA-N |
Mol Weight | 406.6 g/mol |
Molecular Formula | C25H42O4 |
Exact Mass | 406.30831 g/mol |
SpectraBase Spectrum ID | J714oQKyBbs |
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Name | 5β-cholanic acid-3α,7α-diol methyl ester |
Source of Sample | Steraloids Inc. |
Catalog Number | C0975-000 |
Lot Number | 1640 |
Accessory | DurasamplIR II |
Compound Type | Pure |
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-IFJDUOSNSA-N |
Instrument Name | Bio-Rad FTS |
Source of Spectrum | Forensic Spectral Research |
Synonyms | Chenodeoxycholic acid methyl ester; Methylchenodeoxycholate |
Technique | ATR-Neat (DuraSamplIR II) |