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PETROMYZESTROSTEROL;1,3,5-ESTRATRIENE-3,7,14,17-TETROL
SpectraBase Compound ID I5U82R7i2T6
InChI InChI=1S/C18H24O4/c1-17-6-4-13-12-3-2-11(19)8-10(12)9-14(20)16(13)18(17,22)7-5-15(17)21/h2-3,8,13-16,19-22H,4-7,9H2,1H3/t13-,14+,15-,16+,17+,18+/m0/s1
InChIKey YZWSPZJJKYCEKE-FQESAXDCSA-N
Mol Weight 304.39 g/mol
Molecular Formula C18H24O4
Exact Mass 304.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzTl10A31ZX
Name PETROMYZESTROSTEROL;1,3,5-ESTRATRIENE-3,7,14,17-TETROL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24O4
InChI InChI=1S/C18H24O4/c1-17-6-4-13-12-3-2-11(19)8-10(12)9-14(20)16(13)18(17,22)7-5-15(17)21/h2-3,8,13-16,19-22H,4-7,9H2,1H3/t13-,14+,15-,16+,17+,18+/m0/s1
InChIKey YZWSPZJJKYCEKE-FQESAXDCSA-N
Literature Reference Author K.LI,M.J.SIEFKES,C.O.BRANT,W.LI
Literature Reference Citation STEROIDS,77,806(2012)
Literature Reference DOI 10.1016/j.steroids.2012.03.006
Molecular Weight 304.386 g/mol
Sample ID 70618
Solvent CD3OD