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(E)-STIGMASTA-24(28)-EN-3,6-DIONE;5-ALPHA-ERGOST-24(28)-ENE-3,6-DIONE
SpectraBase Compound ID 6QhZ4KqJAcc
InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h7,18-19,22-26H,8-17H2,1-6H3/b20-7+/t19-,22+,23-,24+,25+,26-,28-,29-/m1/s1
InChIKey BYUXHLJJNJYGFI-DSQHZUNUSA-N
Mol Weight 426.7 g/mol
Molecular Formula C29H46O2
Exact Mass 426.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5PuN9o0yif
Name (E)-STIGMASTA-24(28)-EN-3,6-DIONE;5-ALPHA-ERGOST-24(28)-ENE-3,6-DIONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O2
InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h7,18-19,22-26H,8-17H2,1-6H3/b20-7+/t19-,22+,23-,24+,25+,26-,28-,29-/m1/s1
InChIKey BYUXHLJJNJYGFI-DSQHZUNUSA-N
Literature Reference Author J.L.ZHANG,H.Y.TIAN,J.LI,L.JIN,C.LUO,W.C.YE,R.W.JIANG
Literature Reference Citation FITOTERAPIA,83,973(2012)
Literature Reference DOI 10.1016/j.fitote.2012.04.019
Molecular Weight 426.683 g/mol
Sample ID 71971
Solvent CDCl3