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Estriol

View entire compound with spectra: 4 NMR, 5 FTIR, 1 Raman, and 5 MS (GC)

Estriol
SpectraBase Compound ID LBz9UHy5ctG
InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
InChIKey PROQIPRRNZUXQM-ZXXIGWHRSA-N
Mol Weight 288.39 g/mol
Molecular Formula C18H24O3
Exact Mass 288.172545 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 19S0GpGjV0h
Name Estriol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 285803
CAS Registry Number 50-27-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O3
InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
InChIKey PROQIPRRNZUXQM-ZXXIGWHRSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,3,5(10)-Estratriene-3,16alpha,17beta-triol 16alpha-Hydroxyestradiol 3,16alpha,17beta-Trihydroxy-1,3,5(10)-estratriene
Wiley ID SIAL_1HNMR_005337