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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 Kbg1pQyDwZ2
Name (1S,6R)-1-HYDROXY-3,3-DIMETHYL-9,10-SECOCHOLESTA-5(10),6,7-TRIENE
CAS Registry Number 74398-21-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author A.MOURINO,S.LEWICKA-PIEKUT,A.W.NORMAN,W.H.OKAMURA
Literature Reference Citation J.ORG.CHEM.,45,4015(1980)
Literature Reference DOI 10.1021/jo01308a014
Molecular Weight 412.700 g/mol
Solvent CDCl3
Source File Reference UNIW18213