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VE-FPF;3A-ACETYL-2,3,5-TRIMETHYL-7A-HYDROXY-5-(4,8,12-TRIMETHYL-TRIDECANYL)-1,3A,5,6,7,7A-HEXAHYDRO-4-OXAINDEN-1-ONE
SpectraBase Compound ID 2L9RB6YC6SC
InChI InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(8)18-19-28(32)26(31)23(5)24(6)29(28,33-27)25(7)30/h20-22,32H,9-19H2,1-8H3/t21-,22-,27-,28-,29+/m0/s1
InChIKey XJXVHMRPDRDXEA-XIFCMFAJSA-N
Mol Weight 462.7 g/mol
Molecular Formula C29H50O4
Exact Mass 462.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ziNcY6GNtp
Name VE-FPF;3A-ACETYL-2,3,5-TRIMETHYL-7A-HYDROXY-5-(4,8,12-TRIMETHYL-TRIDECANYL)-1,3A,5,6,7,7A-HEXAHYDRO-4-OXAINDEN-1-ONE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H50O4
InChI InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(8)18-19-28(32)26(31)23(5)24(6)29(28,33-27)25(7)30/h20-22,32H,9-19H2,1-8H3/t21-,22-,27-,28-,29+/m0/s1
InChIKey XJXVHMRPDRDXEA-XIFCMFAJSA-N
Literature Reference Author J.KITAJIMA,K.KIMIZURA,M.ARAI,Y.TANAKA
Literature Reference Citation CHEM.PHARM.BULL.,46,1647(1998)
Literature Reference DOI 10.1248/cpb.46.1647
Molecular Weight 462.714 g/mol
Solvent CDCl3
Source File Reference UWMS20753