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(1S,2R,3R,5R)-3-[(E)-2-(4-Hydroxy-1-methyl-cyclohexyl)-vinyl]-5-(5-methyl-hexyl)-cyclopentane-1,2-diol
SpectraBase Compound ID 9zYsbHQyymD
InChI InChI=1S/C21H38O3/c1-15(2)6-4-5-7-16-14-17(20(24)19(16)23)8-11-21(3)12-9-18(22)10-13-21/h8,11,15-20,22-24H,4-7,9-10,12-14H2,1-3H3/b11-8+/t16-,17+,18-,19+,20-,21-/m1/s1
InChIKey FMIPVOXDRVXYDX-QZOSFSPXSA-N
Mol Weight 338.5 g/mol
Molecular Formula C21H38O3
Exact Mass 338.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wM5zwoYRaA
Name (1S,2R,3R,5R)-3-[(E)-2-(4-Hydroxy-1-methyl-cyclohexyl)-vinyl]-5-(5-methyl-hexyl)-cyclopentane-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O3
InChI InChI=1S/C21H38O3/c1-15(2)6-4-5-7-16-14-17(20(24)19(16)23)8-11-21(3)12-9-18(22)10-13-21/h8,11,15-20,22-24H,4-7,9-10,12-14H2,1-3H3/b11-8+/t16-,17+,18-,19+,20-,21-/m1/s1
InChIKey FMIPVOXDRVXYDX-QZOSFSPXSA-N
Molecular Weight 338.532 g/mol
SMILES O[C@]1([C@@](C[C@@]([C@]1(O)[H])(\C=C\[C@]1(CC[C@@](CC1)(O)[H])C)[H])(CCCCC(C)C)[H])[H]
SPLASH splash10-0a4i-5983000000-8c911548404a31b17cb6
Source of Spectrum E1-37-2349-37
Synonyms d,l-[1.alpha.,2.alpha.,3.beta.[E(trans)],5-beta.]-3-[2-(4-Hydroxy-1-methylcyclohexyl)ethenyl]-5-(5-methylhexyl)-1,2-cyclopentadiol (1S,2R,3R,5R)-3-[(E)-2-(4-hydroxy-1-methylcyclohexyl)ethenyl]-5-(5-methylhexyl)-1,2-cyclopentanediol 1,2-Cyclopentanediol d,l-[1.alpha.,2.alpha.,3.beta.[Z(trans)],5-beta.]-3-[2-(4-Hydroxy-1-methylcyclohexyl)ethenyl]-5-(5-methylhexyl)-1,2-cyclopentadiol
Wiley ID 1575157