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3-Cyclohexene-1-propanoic acid, 2-[5-(.alpha.-L-arabinopyranosyloxy)-3-methylpentyl]-1,3-dimethyl-6-(1-methylethenyl)-, methyl ester, [1S-[1.alpha.,2.beta.(R*),6.beta.]]-
SpectraBase Compound ID 4oPxRw2DGcv
InChI InChI=1S/C26H44O7/c1-16(2)19-10-8-18(4)20(26(19,5)13-11-22(28)31-6)9-7-17(3)12-14-32-25-24(30)23(29)21(27)15-33-25/h8,17,19-21,23-25,27,29-30H,1,7,9-15H2,2-6H3/t17?,19-,20-,21-,23-,24+,25+,26-/m0/s1
InChIKey KSYPGBQUTOJFGZ-IWAFLGAYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C26H44O7
Exact Mass 468.308704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZyYb05PDHn
Name 3-Cyclohexene-1-propanoic acid, 2-[5-(.alpha.-L-arabinopyranosyloxy)-3-methylpentyl]-1,3-dimethyl-6-(1-methylethenyl)-, methyl ester, [1S-[1.alpha.,2.beta.(R*),6.beta.]]-
Alternate Name(s) Methyl 3-{(1S,2S,6S)-2-[5-(.alpha.-L-arabinopyranosyloxy)-3-methylpentyl]-6-isopropenyl-1,3-dimethyl-3-cyclohexen-1-yl}propanoate
CAS Registry Number 122899-07-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O7
InChI InChI=1S/C26H44O7/c1-16(2)19-10-8-18(4)20(26(19,5)13-11-22(28)31-6)9-7-17(3)12-14-32-25-24(30)23(29)21(27)15-33-25/h8,17,19-21,23-25,27,29-30H,1,7,9-15H2,2-6H3/t17?,19-,20-,21-,23-,24+,25+,26-/m0/s1
InChIKey KSYPGBQUTOJFGZ-IWAFLGAYSA-N
Molecular Weight 468.631 g/mol
SMILES O[C@]1([C@](CO[C@]([C@@]1(O)[H])(OCCC(CC[C@@]1([C@]([C@@](CC=C1C)(C(=C)C)[H])(CCC(=O)OC)C)[H])C)[H])(O)[H])[H]
SPLASH splash10-001i-9721000000-3c78d5aa86930ec01ac3
Source of Spectrum J-54-5346-5
Wiley ID 1392427