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20(R)-Cholesta-15,21-trans-dien-3-one ethylene ketal
SpectraBase Compound ID JmTh62knrUq
InChI InChI=1S/C29H46O2/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-29(30-17-18-31-29)16-15-27(22,4)26(23)13-14-28(24,25)5/h6,8,11,20-23,25-26H,7,9-10,12-19H2,1-5H3/b8-6+
InChIKey CVNMAHRQOIDOOY-SOFGYWHQSA-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 6dqv1tgJcfn
Name 20(R)-Cholesta-15,21-trans-dien-3-one ethylene ketal
CAS Registry Number 80655-82-9
Comments SHIFT OF 78.9 PPM REPORTED FOR C28 PROBABLY CHCL3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H46O2
InChI InChI=1S/C29H46O2/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-29(30-17-18-31-29)16-15-27(22,4)26(23)13-14-28(24,25)5/h6,8,11,20-23,25-26H,7,9-10,12-19H2,1-5H3/b8-6+
InChIKey CVNMAHRQOIDOOY-SOFGYWHQSA-N
Literature Reference J.S. Temple, M. Riediker, J. Schwartz, J. Am. Chem. Soc. 104, 1310 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3