| SpectraBase Spectrum ID |
1aMF3XN8D2 |
| Name |
3-alpha-Etiocholanolone |
| CAS Registry Number |
53-42-9 |
| Classification |
Biomolecule |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
290.224580204 u |
| Formula |
C19H30O2 |
| InChI |
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3 |
| InChIKey |
QGXBDMJGAMFCBF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
290.447 g/mol |
| SMILES |
C1C(CC2C(C1)(C1CCC3(C(C1CC2)CCC3=O)C)C)O |
| SPLASH |
splash10-0006-6980000000-b04e834b9313fb915d11 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
3-alpha-Etiocholanolone |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_3759 |
