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(6R)-1-Oxo-9,10-secocholesta-5(10),6,7-triene
SpectraBase Compound ID AO3CWePi6ey
InChI InChI=1S/C27H42O/c1-19(2)9-6-10-20(3)24-16-17-25-23(12-8-18-27(24,25)5)15-14-22-11-7-13-26(28)21(22)4/h14,19-20,24-25H,6-13,16-18H2,1-5H3
InChIKey SBIRNAALKREZIX-UHFFFAOYSA-N
Mol Weight 382.6 g/mol
Molecular Formula C27H42O
Exact Mass 382.323566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pKNZ1egJGe
Name (6S)-1-OXO-9,10-SECOCHOLESTA-5(10),6,7-TRIENE
CAS Registry Number 74398-27-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O
InChI InChI=1S/C27H42O/c1-19(2)9-6-10-20(3)24-16-17-25-23(12-8-18-27(24,25)5)15-14-22-11-7-13-26(28)21(22)4/h14,19-20,24-25H,6-13,16-18H2,1-5H3
InChIKey SBIRNAALKREZIX-UHFFFAOYSA-N
Literature Reference Author A.MOURINO,S.LEWICKA-PIEKUT,A.W.NORMAN,W.H.OKAMURA
Literature Reference Citation J.ORG.CHEM.,45,4015(1980)
Literature Reference DOI 10.1021/jo01308a014
Molecular Weight 382.630 g/mol
Solvent CDCl3
Source File Reference UNIW18219