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Estrone
SpectraBase Compound ID JujidlxSuF5
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKey DNXHEGUUPJUMQT-CBZIJGRNSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FU8E5INRHix
Name Estrone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number E3201
CAS Registry Number 53-16-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKey DNXHEGUUPJUMQT-CBZIJGRNSA-N
Observed nucleus 13C
Purity >=99%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,3,5(10)-Estratrien-3-ol-17-one 3-Hydroxy-1,3,5(10)-estratrien-17-one Folliculin
Wiley ID SIAL_13CNMR_011821