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5-ALPHA-CHOLESTANE-3-BETA,6-BETA,7-ALPHA,15-ALPHA,16-BETA,26-HEXOL
SpectraBase Compound ID 1BcifPskROq
InChI InChI=1S/C27H48O6/c1-14(13-28)6-5-7-15(2)20-24(32)25(33)21-19-17(9-11-27(20,21)4)26(3)10-8-16(29)12-18(26)22(30)23(19)31/h14-25,28-33H,5-13H2,1-4H3/t14?,15-,16+,17+,18-,19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey CJQRVJNKQSUIFP-KUDIKQKISA-N
Mol Weight 468.7 g/mol
Molecular Formula C27H48O6
Exact Mass 468.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2XflOIwxmPH
Name 5-ALPHA-CHOLESTANE-3-BETA,6-BETA,7-ALPHA,15-ALPHA,16-BETA,26-HEXOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H48O6
InChI InChI=1S/C27H48O6/c1-14(13-28)6-5-7-15(2)20-24(32)25(33)21-19-17(9-11-27(20,21)4)26(3)10-8-16(29)12-18(26)22(30)23(19)31/h14-25,28-33H,5-13H2,1-4H3/t14?,15-,16+,17+,18-,19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey CJQRVJNKQSUIFP-KUDIKQKISA-N
Literature Reference Author L.MINALE,C.PIZZA,R.RICCIO,O.S.GRECO,F.ZOLLO,J.PUSSET,J.L.MEN OU
Literature Reference Citation J.NAT.PROD.,47,784(1984)
Literature Reference DOI 10.1021/np50035a005
Molecular Weight 468.675 g/mol
Solvent CD3OD
Source File Reference UWCS3295