| SpectraBase Spectrum ID |
2x8noavRNXT |
| Name |
Methyldehydrocholate |
| Source of Sample |
Steraloids Inc. |
| Catalog Number |
C2035-000 |
| Lot Number |
G790 |
| CAS Registry Number |
7727-82-4 |
| Classification |
Cholesterol type |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H36O5 |
| InChI |
InChI=1S/C25H36O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-19,23H,5-13H2,1-4H3/t14-,15?,17?,18?,19?,23?,24+,25-/m1/s1 |
| InChIKey |
ZNRVRJLOYAQJBW-PFWKRXRMSA-N |
| Instrument Name |
Bio-Rad FTS |
| SMILES |
[C@@]12(CCC(CC1CC(C1C3[C@](C(CC21)=O)(C(CC3)[C@@](CCC(OC)=O)(C)[H])C)=O)=O)C |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
5β-Cholanic acid-3,7,12-trione, methyl ester |
| Technique |
KBr0 |
