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(2R,4R,4aS,7S,8aR)-4-[(3S)-5-hydroxy-3-methylpentyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,7-diol

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(2R,4R,4aS,7S,8aR)-4-[(3S)-5-hydroxy-3-methylpentyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,7-diol
SpectraBase Compound ID 1QX0qHM5nK4
InChI InChI=1S/C20H36O3/c1-13(9-11-21)6-7-15-14(2)16(22)12-17-19(3,4)18(23)8-10-20(15,17)5/h13,15-18,21-23H,2,6-12H2,1,3-5H3/t13-,15-,16+,17-,18-,20+/m0/s1
InChIKey BQRSRWIWZMFVMG-GCZURCMHSA-N
Mol Weight 324.5 g/mol
Molecular Formula C20H36O3
Exact Mass 324.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OdpowooIhM
Name (2R,4R,4aS,7S,8aR)-4-[(3S)-5-hydroxy-3-methylpentyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,7-diol
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H36O3
InChI InChI=1S/C20H36O3/c1-13(9-11-21)6-7-15-14(2)16(22)12-17-19(3,4)18(23)8-10-20(15,17)5/h13,15-18,21-23H,2,6-12H2,1,3-5H3/t13-,15-,16+,17-,18-,20+/m0/s1
InChIKey BQRSRWIWZMFVMG-GCZURCMHSA-N
Literature Reference Author A.G.GONZALEZ,J.B.BARRERA,J.G.DIAZ,E.M.R.PEREZ,A.C.YANES,P.RA UTER,J.POZO
Literature Reference Citation PHYTOCHEM.,29,321(1990)
Literature Reference DOI 10.1016/0031-9422(90)89062-E
Molecular Weight 324.504 g/mol
Solvent CDCl3
Source File Reference UWMZ25475