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3-BETA-HYDROXYERGOSTA-8,24-(28)-DIEN-7-ONE

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3-BETA-HYDROXYERGOSTA-8,24-(28)-DIEN-7-ONE
SpectraBase Compound ID 8eG1dcFys5p
InChI InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h17,19-23,29H,3,7-16H2,1-2,4-6H3/t19?,20-,21+,22-,23+,27+,28-/m1/s1
InChIKey XNNFSCUGVQFHNA-XDKAWTSISA-N
Mol Weight 412.7 g/mol
Molecular Formula C28H44O2
Exact Mass 412.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEQz2g47oVx
Name 3-BETA-HYDROXYERGOSTA-8,24-(28)-DIEN-7-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44O2
InChI InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h17,19-23,29H,3,7-16H2,1-2,4-6H3/t19?,20-,21+,22-,23+,27+,28-/m1/s1
InChIKey XNNFSCUGVQFHNA-XDKAWTSISA-N
Literature Reference Author C.M.CUI,X.M.LI,L.MENG,C.S.LI,C.G.HUANG,B.G.WANG
Literature Reference Citation J.NAT.PROD.,73,1780(2010)
Literature Reference DOI 10.1021/np100386q
Molecular Weight 412.656 g/mol
Sample ID 36108
Solvent CDCl3