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Isoagatholactol
SpectraBase Compound ID 60mw5SdjXEV
InChI InChI=1S/C20H32O2/c1-18(2)9-5-10-20(4)15(18)8-11-19(3)14-12-22-17(21)13(14)6-7-16(19)20/h6,14-17,21H,5,7-12H2,1-4H3/t14?,15?,16?,17?,19-,20-/m0/s1
InChIKey PSGXRLLNXWNKBT-ZFJXHIGWSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20Lc28YbsxO
Name Isoagatholactol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-18(2)9-5-10-20(4)15(18)8-11-19(3)14-12-22-17(21)13(14)6-7-16(19)20/h6,14-17,21H,5,7-12H2,1-4H3/t14?,15?,16?,17?,19-,20-/m0/s1
InChIKey PSGXRLLNXWNKBT-ZFJXHIGWSA-N
Molecular Weight 304.474 g/mol
SMILES OC1C=2C([C@]3(C([C@]4(CCCC(C4CC3)(C)C)C)CC2)C)CO1
SPLASH splash10-002f-0942000000-d6f42b3ddb831676d888
Source of Spectrum X4-20-689-0
Wiley ID 1585746