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(1R,6R)-1-Hydroxy-3,3-dimethyl-9,10-secocholesta-5(10),6,7-triene
SpectraBase Compound ID F6pb0K2jTxN
InChI InChI=1S/C29H48O/c1-20(2)10-8-11-21(3)25-15-16-26-23(12-9-17-29(25,26)7)13-14-24-18-28(5,6)19-27(30)22(24)4/h14,20-21,25-27,30H,8-12,15-19H2,1-7H3
InChIKey KWDSJTDNQNCCBN-UHFFFAOYSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IpWnm51eACd
Name (1S,6R)-1-Hydroxy-3,3-dimethyl-9,10-secocholesta-5(10),6,7-triene
CAS Registry Number 74398-21-3
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-20(2)10-8-11-21(3)25-15-16-26-23(12-9-17-29(25,26)7)13-14-24-18-28(5,6)19-27(30)22(24)4/h14,20-21,25-27,30H,8-12,15-19H2,1-7H3
InChIKey KWDSJTDNQNCCBN-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