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METHYL-[1R-(1-ALPHA,4A-BETA,5-BETA,8A-ALPHA)]-1,2,3,4,4A,5,8,8A-OCTAHYDRO-6-HYDROXYMETHYL-5-(3S-HYDROXY-4-METHYLPENTYL)-1,4A-DIMETHYL-NAPHTHALENE

View entire compound with spectra: 1 NMR

METHYL-[1R-(1-ALPHA,4A-BETA,5-BETA,8A-ALPHA)]-1,2,3,4,4A,5,8,8A-OCTAHYDRO-6-HYDROXYMETHYL-5-(3S-HYDROXY-4-METHYLPENTYL)-1,4A-DIMETHYL-NAPHTHALENE
SpectraBase Compound ID 9kaTRAYwjt
InChI InChI=1S/C21H36O4/c1-14(2)17(23)9-8-16-15(13-22)7-10-18-20(16,3)11-6-12-21(18,4)19(24)25-5/h7,14,16-18,22-23H,6,8-13H2,1-5H3/t16-,17-,18+,20+,21+/m0/s1
InChIKey XSMLTWMTQUMTCP-FSAOVCISSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JFoYVnpnDmF
Name METHYL-[1R-(1-ALPHA,4A-BETA,5-BETA,8A-ALPHA)]-1,2,3,4,4A,5,8,8A-OCTAHYDRO-6-HYDROXYMETHYL-5-(3S-HYDROXY-4-METHYLPENTYL)-1,4A-DIMETHYL-NAPHTHALENE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-14(2)17(23)9-8-16-15(13-22)7-10-18-20(16,3)11-6-12-21(18,4)19(24)25-5/h7,14,16-18,22-23H,6,8-13H2,1-5H3/t16-,17-,18+,20+,21+/m0/s1
InChIKey XSMLTWMTQUMTCP-FSAOVCISSA-N
Literature Reference Author E.HASLINGER,A.HUEFNER
Literature Reference Citation MH.CHEM.,126,1109(1995)
Literature Reference DOI 10.1007/BF00811381
Molecular Weight 352.514 g/mol
Solvent CDCl3
Source File Reference UWGN8