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(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YL-4-(PIPERAZIN-1-YL)-4-OXO-BUTANOATE
SpectraBase Compound ID 5m1usLhFyWM
InChI InChI=1S/C37H60N2O3/c1-7-27(25(2)3)9-8-26(4)31-12-13-32-30-11-10-28-24-29(16-18-36(28,5)33(30)17-19-37(31,32)6)42-35(41)15-14-34(40)39-22-20-38-21-23-39/h8-10,25-27,29-33,38H,7,11-24H2,1-6H3/b9-8+/t26-,27-,29+,30+,31-,32+,33+,36+,37-/m1/s1
InChIKey GOVUJVDQHBCXEZ-DCGFSHIPSA-N
Mol Weight 580.9 g/mol
Molecular Formula C37H60N2O3
Exact Mass 580.460394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9UH6uOUtnNw
Name (3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YL-4-(PIPERAZIN-1-YL)-4-OXO-BUTANOATE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H60N2O3
InChI InChI=1S/C37H60N2O3/c1-7-27(25(2)3)9-8-26(4)31-12-13-32-30-11-10-28-24-29(16-18-36(28,5)33(30)17-19-37(31,32)6)42-35(41)15-14-34(40)39-22-20-38-21-23-39/h8-10,25-27,29-33,38H,7,11-24H2,1-6H3/b9-8+/t26-,27-,29+,30+,31-,32+,33+,36+,37-/m1/s1
InChIKey GOVUJVDQHBCXEZ-DCGFSHIPSA-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 580.895 g/mol
Sample ID 70725
Solvent CD3OD