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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 ASsuG6cIXzQ
Name (6S)-1-Oxo-9,10-secocholesta-5(10),6,7-triene
CAS Registry Number 74398-27-9
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name SF = 090 MHz
Literature Reference J. Org. Chem. 45, 4015 (1980).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3