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TOPSENTISTEROL_B4;(22-E,24-S)-5-ALPHA,6-ALPHA-EPOXY-24-METHYLCHOLESTA-8,22-DIENE-3-BETA,7-ALPHA-DIOL
SpectraBase Compound ID 6m5hJuagN6i
InChI InChI=1S/C28H44O3/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/h7-8,16-21,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21-,24-,25-,26+,27+,28-/m0/s1
InChIKey PCIZFQVDNDHRPP-WOIVZMLFSA-N
Mol Weight 428.7 g/mol
Molecular Formula C28H44O3
Exact Mass 428.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1OkuyoahYM
Name [(22E),24R]-5-ALPHA,6-ALPHA-EPOXY-ERGOSTA-8,22-DIEN-3-BETA,7-ALPHA-DIOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44O3
InChI InChI=1S/C28H44O3/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/h7-8,16-21,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21-,24-,25-,26+,27+,28-/m0/s1
InChIKey PCIZFQVDNDHRPP-WOIVZMLFSA-N
Literature Reference Author L.FANG,L.KE,L.XIAOMING,W.BINGUI
Literature Reference Citation CHIN.J.OC.LIM.,29,63(2011)
Literature Reference DOI 10.1007/s00343-011-9949-1
Molecular Weight 428.656 g/mol
Solvent CDCl3
Source File Reference UWBT16644