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3-METHOXY-17A,17B-DIHOMOESTRA-1,3,5(10)-TRIEN-16-BETA,17-BETA,17B-ALPHA-TRIOL
SpectraBase Compound ID DMGH9qMmJV4
InChI InChI=1S/C21H30O4/c1-21-8-7-15-14-6-4-13(25-2)9-12(14)3-5-16(15)17(21)10-18(22)19(23)11-20(21)24/h4,6,9,15-20,22-24H,3,5,7-8,10-11H2,1-2H3/t15-,16-,17+,18+,19-,20-,21+/m1/s1
InChIKey ZWEJRPIZSBDENQ-RQMSYUQLSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FHA3l16H93H
Name 3-METHOXY-17A,17B-DIHOMOESTRA-1,3,5(10)-TRIEN-16-BETA,17-BETA,17B-ALPHA-TRIOL
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-21-8-7-15-14-6-4-13(25-2)9-12(14)3-5-16(15)17(21)10-18(22)19(23)11-20(21)24/h4,6,9,15-20,22-24H,3,5,7-8,10-11H2,1-2H3/t15-,16-,17+,18+,19-,20-,21+/m1/s1
InChIKey ZWEJRPIZSBDENQ-RQMSYUQLSA-N
Literature Reference Author T.SALORANTA,I.ZUPKO,J.RAHKILA,G.SCHNEIDER,J.WOELFING,R.LEINO
Literature Reference Citation STEROIDS,77,110(2012)
Literature Reference DOI 10.1016/j.steroids.2011.10.011
Molecular Weight 346.467 g/mol
Sample ID 70546
Solvent CDCl3