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(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YL-4-[4-(TERT.-BUTOXYCARBONYL)-PIPERAZIN-1-YL]-4-OXO-BUTANOATE
SpectraBase Compound ID 8YRu0de1c3j
InChI InChI=1S/C42H68N2O5/c1-10-30(28(2)3)12-11-29(4)34-15-16-35-33-14-13-31-27-32(19-21-41(31,8)36(33)20-22-42(34,35)9)48-38(46)18-17-37(45)43-23-25-44(26-24-43)39(47)49-40(5,6)7/h11-13,28-30,32-36H,10,14-27H2,1-9H3/b12-11+/t29-,30-,32+,33+,34-,35+,36+,41+,42-/m1/s1
InChIKey BFDXVBMFMVKFCN-FVPFZKFDSA-N
Mol Weight 681.0 g/mol
Molecular Formula C42H68N2O5
Exact Mass 680.512823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVSfkaXXOoe
Name (3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YL-4-[4-(TERT.-BUTOXYCARBONYL)-PIPERAZIN-1-YL]-4-OXO-BUTANOATE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H68N2O5
InChI InChI=1S/C42H68N2O5/c1-10-30(28(2)3)12-11-29(4)34-15-16-35-33-14-13-31-27-32(19-21-41(31,8)36(33)20-22-42(34,35)9)48-38(46)18-17-37(45)43-23-25-44(26-24-43)39(47)49-40(5,6)7/h11-13,28-30,32-36H,10,14-27H2,1-9H3/b12-11+/t29-,30-,32+,33+,34-,35+,36+,41+,42-/m1/s1
InChIKey BFDXVBMFMVKFCN-FVPFZKFDSA-N
Literature Reference Author N.VIDA,H.SVOBODOVA,L.RAROVA,P.DRASAR,D.SAMAN,J.CVACKA,Z.WIMM ER
Literature Reference Citation STEROIDS,77,1212(2012)
Literature Reference DOI 10.1016/j.steroids.2012.07.009
Molecular Weight 681.012 g/mol
Sample ID 70724
Solvent CD3OD