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3-BETA-HYDROXY-24R*-ETHYLCHOLESTA-5,8-DIEN-7-ONE

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3-BETA-HYDROXY-24R*-ETHYLCHOLESTA-5,8-DIEN-7-ONE
SpectraBase Compound ID DYVtXxrkG4C
InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-24,30H,7-16H2,1-6H3/t19-,20+,22+,23-,24?,28+,29-/m1/s1
InChIKey KOMFLQBTVSCQMC-PAUOVTPNSA-N
Mol Weight 426.7 g/mol
Molecular Formula C29H46O2
Exact Mass 426.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID RSDrutEKxa
Name 3-BETA-HYDROXY-24R*-ETHYLCHOLESTA-5,8-DIEN-7-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O2
InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-24,30H,7-16H2,1-6H3/t19-,20+,22+,23-,24?,28+,29-/m1/s1
InChIKey KOMFLQBTVSCQMC-PAUOVTPNSA-N
Literature Reference Author G.SANTAFE,V.PAZ,J.RODRIGUEZ,C.JIMENEZ
Literature Reference Citation J.NAT.PROD.,65,1161(2002)
Literature Reference DOI 10.1021/np0200459
Molecular Weight 426.683 g/mol
Solvent CDCl3