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BRUGUIEROL_B;2,3-DIHYDROXY-5-METHYL-5,8-EPOXY-6,7,8,9-TETRAHYDRO-5-H-BENZO-[A]-CYCLOHEPTENE
SpectraBase Compound ID DmkPKEArH0G
InChI InChI=1S/C12H14O3/c1-12-3-2-8(15-12)4-7-5-10(13)11(14)6-9(7)12/h5-6,8,13-14H,2-4H2,1H3/t8-,12+/m1/s1
InChIKey XYAFXNZYAGVVKV-PELKAZGASA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8To8FHbBpCo
Name BRUGUIEROL_B;2,3-DIHYDROXY-5-METHYL-5,8-EPOXY-6,7,8,9-TETRAHYDRO-5-H-BENZO-[A]-CYCLOHEPTENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-12-3-2-8(15-12)4-7-5-10(13)11(14)6-9(7)12/h5-6,8,13-14H,2-4H2,1H3/t8-,12+/m1/s1
InChIKey XYAFXNZYAGVVKV-PELKAZGASA-N
Literature Reference Author L.HAN,X.HUANG,I.SATTLER,U.MOELLMANN,H.FU,W.LIN,S.GRABLEY
Literature Reference Citation PLANTA.MED.,71,160(2005)
Literature Reference DOI 10.1055/s-2005-837784
Molecular Weight 206.241 g/mol
Solvent DMSO-D6
Source File Reference UWMZ47157