| SpectraBase Spectrum ID |
AQef0B290yr |
| Name |
Pregnandiol -H2O AC |
| CAS Registry Number |
1174-69-2 |
| Classification |
Gestagen |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
344.271530397 u |
| Formula |
C23H36O2 |
| InChI |
InChI=1S/C23H36O2/c1-15(25-16(2)24)19-10-11-20-18-9-8-17-7-5-6-13-22(17,3)21(18)12-14-23(19,20)4/h5,7,15,17-21H,6,8-14H2,1-4H3 |
| InChIKey |
QDFOTWFXLRZDCD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
344.539 g/mol |
| SMILES |
C12(C(C3C(C4(C(C=CCC4)CC3)C)CC1)CCC2C(OC(=O)C)C)C |
| SPLASH |
splash10-0a5c-9720000000-8ff333569b7be7616944 |
| 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. |
| Sample Preparation Procedure |
Detected: UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5585 |
