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Panduratin A
SpectraBase Compound ID 4qq9yhgRKCw
InChI InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1
InChIKey LYDZCXVWCFJAKQ-ZFGGDYGUSA-N
Mol Weight 406.52 g/mol
Molecular Formula C26H30O4
Exact Mass 406.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4O6L2LiEia
Name (2,6-dihydroxy-4-methoxy-phenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenyl-cyclohex-3-en-1-yl]methanone
CAS Registry Number 89837-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O4
InChI InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1
InChIKey LYDZCXVWCFJAKQ-ZFGGDYGUSA-N
Molecular Weight 406.522 g/mol
SMILES Oc1c(c(cc(c1)OC)O)C([C@@]1([C@@](C(C)=CC[C@]1(c1ccccc1)[H])(CC=C(C)C)[H])[H])=O
SPLASH splash10-016r-3900000000-15eac9ccf9e3e0196043
Source of Spectrum B-37-453-0
Synonyms (2,6-dihydroxy-4-methoxyphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenyl-1-cyclohex-3-enyl]methanone Panduratin A [4-methoxy-2,6-bis(oxidanyl)phenyl]-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenyl-cyclohex-3-en-1-yl]methanone
Wiley ID 1372385