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(23R)-23H-Isocalysterol

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(23R)-23H-Isocalysterol
SpectraBase Compound ID JpnFLwQ1541
InChI InChI=1S/C29H46O/c1-17(2)27-19(4)23(27)15-18(3)24-9-10-25-22-8-7-20-16-21(30)11-13-28(20,5)26(22)12-14-29(24,25)6/h7,17-18,21-26,30H,8-16H2,1-6H3
InChIKey HBUXJBGKOKXRBP-UHFFFAOYSA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7LS67BmgTnP
Name (23S)-23H-Isocalysterol
CAS Registry Number 85798-19-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H46O
InChI InChI=1S/C29H46O/c1-17(2)27-19(4)23(27)15-18(3)24-9-10-25-22-8-7-20-16-21(30)11-13-28(20,5)26(22)12-14-29(24,25)6/h7,17-18,21-26,30H,8-16H2,1-6H3
InChIKey HBUXJBGKOKXRBP-UHFFFAOYSA-N
Instrument Name Varian XL-400
Literature Reference G.A. Doss, C. Djerassi, J. Am. Chem. Soc. 110, 8124 (1988).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3