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(22E)-23-METHYLERGOSTA-5,7,22-TRIEN-3-BETA-OL

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(22E)-23-METHYLERGOSTA-5,7,22-TRIEN-3-BETA-OL
SpectraBase Compound ID LkPPP41C0LD
InChI InChI=1S/C29H46O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8-9,16,18,20-21,23,25-27,30H,10-15,17H2,1-7H3/b19-16+/t20-,21+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey MNBTWOPOWPOHGH-ZSOLSLGQSA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ydYNWUMGWe
Name (22E)-23-METHYLERGOSTA-5,7,22-TRIEN-3-BETA-OL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O
InChI InChI=1S/C29H46O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8-9,16,18,20-21,23,25-27,30H,10-15,17H2,1-7H3/b19-16+/t20-,21+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey MNBTWOPOWPOHGH-ZSOLSLGQSA-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 410.684 g/mol
Solvent CDCl3
Source File Reference UWLU5148