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3-BETA,5-ALPHA,9-ALPHA-TRIHYDROXY-(22E,24R)-ERGOSTA-7,22-DIEN-6-ONE
SpectraBase Compound ID 6iwoiH5wY5h
InChI InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,29,31-32H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22-,25+,26+,27+,28-/m0/s1
InChIKey GUERPVMWCQXYEU-IHEPTZRRSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1MKSXvyFzMt
Name [(22E),24R]-3-BETA,5-ALPHA,9-ALPHA-TRIHYDROXY-ERGOSTA-7,22-DIEN-6-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,29,31-32H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22-,25+,26+,27+,28-/m0/s1
InChIKey GUERPVMWCQXYEU-IHEPTZRRSA-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 444.655 g/mol
Solvent CDCl3
Source File Reference UWBT16643