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5-ALPHA,6-ALPHA-(22E)-ERGOSTA-8,14,22-TRIENE-3-BETA,7-ALPHA-DIOL

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5-ALPHA,6-ALPHA-(22E)-ERGOSTA-8,14,22-TRIENE-3-BETA,7-ALPHA-DIOL
SpectraBase Compound ID CPRPFKeSm4V
InChI InChI=1S/C28H42O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,10,16-20,24-25,29-30H,9,11-15H2,1-6H3/b8-7+/t17-,18-,19+,20-,24+,25+,26-,27-,28+/m1/s1
InChIKey USHMBEFGKMCIBD-AOBBKPDNSA-N
Mol Weight 426.6 g/mol
Molecular Formula C28H42O3
Exact Mass 426.313395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 837lR9KuEDj
Name 5-ALPHA,6-ALPHA-(22E)-ERGOSTA-8,14,22-TRIENE-3-BETA,7-ALPHA-DIOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O3
InChI InChI=1S/C28H42O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,10,16-20,24-25,29-30H,9,11-15H2,1-6H3/b8-7+/t17-,18-,19+,20-,24+,25+,26-,27-,28+/m1/s1
InChIKey USHMBEFGKMCIBD-AOBBKPDNSA-N
Literature Reference Author N.OHNUMA,K.AMEMIYA,R.KAKUDA,Y.YAOITA,K.MACHIDA,M.KIKUCHI
Literature Reference Citation CHEM.PHARM.BULL.,48,749(2000)
Literature Reference DOI 10.1248/cpb.48.749
Molecular Weight 426.640 g/mol
Solvent C6D6
Source File Reference UWLU5149