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3-Keto-23-norchola-4,20(22)(E)-dien-24-oic acid, ethyl ester
SpectraBase Compound ID AX6IcSoVmHZ
InChI InChI=1S/C25H36O3/c1-5-28-23(27)14-16(2)20-8-9-21-19-7-6-17-15-18(26)10-12-24(17,3)22(19)11-13-25(20,21)4/h14-15,19-22H,5-13H2,1-4H3/b16-14+
InChIKey UWHJTAWCDXUVOM-JQIJEIRASA-N
Mol Weight 384.6 g/mol
Molecular Formula C25H36O3
Exact Mass 384.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xMKeyHOXu1
Name 3-Keto-23-norchola-4,20(22)(E)-dien-24-oic acid, ethyl ester
Comments broad-band decoupling (BB)
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Formula C25H36O3
InChI InChI=1S/C25H36O3/c1-5-28-23(27)14-16(2)20-8-9-21-19-7-6-17-15-18(26)10-12-24(17,3)22(19)11-13-25(20,21)4/h14-15,19-22H,5-13H2,1-4H3/b16-14+
InChIKey UWHJTAWCDXUVOM-JQIJEIRASA-N
Instrument Name SF = 100 MHz
Literature Reference Magn. Res. Chem. 23, 364 (1986).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3