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3-METHOXY-17A,17B-DIHOMOESTRA-1,3,5(10),16-TETRAEN-17B-ALPHA-OL
SpectraBase Compound ID 9WReXdW5QA9
InChI InChI=1S/C21H28O2/c1-21-12-11-17-16-10-8-15(23-2)13-14(16)7-9-18(17)19(21)5-3-4-6-20(21)22/h3-4,8,10,13,17-20,22H,5-7,9,11-12H2,1-2H3/t17-,18-,19+,20-,21+/m1/s1
InChIKey WJPJZZLZFNMRME-ADAARDCZSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4ac7RhHLYJ
Name 3-METHOXY-17A,17B-DIHOMOESTRA-1,3,5(10),16-TETRAEN-17B-ALPHA-OL
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-21-12-11-17-16-10-8-15(23-2)13-14(16)7-9-18(17)19(21)5-3-4-6-20(21)22/h3-4,8,10,13,17-20,22H,5-7,9,11-12H2,1-2H3/t17-,18-,19+,20-,21+/m1/s1
InChIKey WJPJZZLZFNMRME-ADAARDCZSA-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 312.452 g/mol
Sample ID 70543
Solvent CDCl3