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Estriol-M (HO-) 4AC
SpectraBase Compound ID 23jqw7eZLsg
InChI InChI=1S/C26H32O8/c1-13(27)31-22-10-17-6-7-19-18(20(17)11-23(22)32-14(2)28)8-9-26(5)21(19)12-24(33-15(3)29)25(26)34-16(4)30/h10-11,18-19,21,24-25H,6-9,12H2,1-5H3
InChIKey WJWYQPFUWIECNA-UHFFFAOYSA-N
Mol Weight 472.5 g/mol
Molecular Formula C26H32O8
Exact Mass 472.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uCklGjbEI1
Name Estriol-M (HO-) 4AC
Classification Estrogen
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Exact Mass 472.209717982 u
Formula C26H32O8
InChI InChI=1S/C26H32O8/c1-13(27)31-22-10-17-6-7-19-18(20(17)11-23(22)32-14(2)28)8-9-26(5)21(19)12-24(33-15(3)29)25(26)34-16(4)30/h10-11,18-19,21,24-25H,6-9,12H2,1-5H3
InChIKey WJWYQPFUWIECNA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 472.534 g/mol
SMILES C12(C(C3C(c4cc(OC(=O)C)c(cc4CC3)OC(=O)C)CC1)CC(C2OC(=O)C)OC(=O)C)C
SPLASH splash10-00lr-2971400000-4e087cca97ed7559f1e8
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_4290