John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=K9FYooqUWyj SpectraBase Spectrum ID=1iGTH2EmT2N

(accessed ).
[17(2)S]-3-METHOXY-16-ALPHA-METHYL-15-ALPHA,17(2)-CYCLO-14,17-ALPHA-ETHANOESTRA-1,3,5(10)-TRIENE-16-BETA,17-BETA-DIOL-17-ACETATE
SpectraBase Compound ID K9FYooqUWyj
InChI InChI=1S/C24H30O4/c1-13(25)28-23-12-19-20(22(23,3)26)24(19)18-8-5-14-11-15(27-4)6-7-16(14)17(18)9-10-21(23,24)2/h6-7,11,17-20,26H,5,8-10,12H2,1-4H3/t17?,18?,19?,20?,21-,22+,23+,24?/m1/s1
InChIKey QKRMQNQHWRTFAL-BLDYHVBESA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.21441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iGTH2EmT2N
Name [17(2)S]-3-METHOXY-16-ALPHA-METHYL-15-ALPHA,17(2)-CYCLO-14,17-ALPHA-ETHANOESTRA-1,3,5(10)-TRIENE-16-BETA,17-BETA-DIOL-17-ACETATE
Compound Number 21
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-13(25)28-23-12-19-20(22(23,3)26)24(19)18-8-5-14-11-15(27-4)6-7-16(14)17(18)9-10-21(23,24)2/h6-7,11,17-20,26H,5,8-10,12H2,1-4H3/t17?,18?,19?,20?,21-,22+,23+,24?/m1/s1
InChIKey QKRMQNQHWRTFAL-BLDYHVBESA-N
Literature Reference Author J.R.BULL,C.HOADLEY,P.G.MOUNTFORD,L.M.STEER
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1179(1997)
Literature Reference DOI 10.1039/a606242c
Molecular Weight 382.500 g/mol
Solvent CDCl3
SpectraBase Batch ID IwQbw4A6Q94