| SpectraBase Spectrum ID |
4zs1Yo6QRU |
| Name |
Estriol 3AC |
| CAS Registry Number |
2284-32-4 |
| Classification |
Estrogen |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
414.204238680 u |
| Formula |
C24H30O6 |
| InChI |
InChI=1S/C24H30O6/c1-13(25)28-17-6-8-18-16(11-17)5-7-20-19(18)9-10-24(4)21(20)12-22(29-14(2)26)23(24)30-15(3)27/h6,8,11,19-23H,5,7,9-10,12H2,1-4H3 |
| InChIKey |
DKZPDNPWKHTWCC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
414.498 g/mol |
| SMILES |
C1(OC(C)=O)CC2C3C(CCC2(C1OC(C)=O)C)c1ccc(OC(=O)C)cc1CC3 |
| SPLASH |
splash10-00di-0954000000-648a22cd090b4712b509 |
| 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: U+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_1476 |
