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(+-)-Linderol A [rac-(5aR,6R,9R,9aS)-4-Cinnamoyl-3,6-dihydroxy-1-methoxy-6-methyl-9-(1-methylethyl)-5a,6,7,8,9,9a-hexahydrodibenzofuran]
SpectraBase Compound ID IVvoU8nT80P
InChI InChI=1S/C26H30O5/c1-15(2)17-12-13-26(3,29)25-21(17)23-20(30-4)14-19(28)22(24(23)31-25)18(27)11-10-16-8-6-5-7-9-16/h5-11,14-15,17,21,25,28-29H,12-13H2,1-4H3/b11-10+/t17-,21+,25-,26-/m1/s1
InChIKey QNFHIVKGSJTPDD-XUUFYWMYSA-N
Mol Weight 422.52 g/mol
Molecular Formula C26H30O5
Exact Mass 422.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51LnxDBnu2t
Name (+-)-Linderol A [rac-(5aR,6R,9R,9aS)-4-Cinnamoyl-3,6-dihydroxy-1-methoxy-6-methyl-9-(1-methylethyl)-5a,6,7,8,9,9a-hexahydrodibenzofuran]
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O5
InChI InChI=1S/C26H30O5/c1-15(2)17-12-13-26(3,29)25-21(17)23-20(30-4)14-19(28)22(24(23)31-25)18(27)11-10-16-8-6-5-7-9-16/h5-11,14-15,17,21,25,28-29H,12-13H2,1-4H3/b11-10+/t17-,21+,25-,26-/m1/s1
InChIKey QNFHIVKGSJTPDD-XUUFYWMYSA-N
Molecular Weight 422.521 g/mol
SMILES O[C@@]1(CC[C@@]([C@@]2([C@]1(Oc1c2c(cc(c1C(\C=C\c1ccccc1)=O)O)OC)[H])[H])(C(C)C)[H])C
SPLASH splash10-0079-0009500000-3d52f9f9f9532549998f
Source of Spectrum J-86-1224-1
Synonyms (E)-1-[(5aR,6R,9R,9aS)-3,6-dihydroxy-1-methoxy-6-methyl-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]-3-phenyl-2-propen-1-one (E)-1-[(5aR,6R,9R,9aS)-3,6-dihydroxy-1-methoxy-6-methyl-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]-3-phenylprop-2-en-1-one (E)-1-[(5aR,6R,9R,9aS)-1-methoxy-6-methyl-3,6-bis(oxidanyl)-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]-3-phenyl-prop-2-en-1-one
Wiley ID 1536349