| SpectraBase Spectrum ID |
77gVpspjPB5 |
| Name |
Estradiol undecylate |
| CAS Registry Number |
3571-53-7 |
| Classification |
Estrogen |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
440.329045274 u |
| Formula |
C29H44O3 |
| InChI |
InChI=1S/C29H44O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h13,15,20,24-27,30H,3-12,14,16-19H2,1-2H3 |
| InChIKey |
TXHUMRBWIWWBGW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
440.668 g/mol |
| SMILES |
C12(C(C3C(c4c(cc(O)cc4)CC3)CC1)CCC2OC(=O)CCCCCCCCCC)C |
| SPLASH |
splash10-0a4i-7920000000-0cec1d0be9ceec5b4a5a |
| 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 |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5244 |
