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3-OXO-DELTA(4,5)-SITOSTERONE
SpectraBase Compound ID DUZXowYWW2L
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21?,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey RUVUHIUYGJBLGI-DOUXTHCPSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3qFlK9ALxs
Name 3-OXO-DELTA(4,5)-SITOSTERONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21?,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey RUVUHIUYGJBLGI-DOUXTHCPSA-N
Literature Reference Author P.A.ONOCHA,D.A.OKORIE,J.D.CONNOLLY,D.S.ROYCROFT
Literature Reference Citation PHYTOCHEM.,40,1183(1995)
Literature Reference DOI 10.1016/0031-9422(95)00121-M
Molecular Weight 412.700 g/mol
Solvent CDCl3
Source File Reference UWMS2789