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5-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDROXY-2-(4-HYDROXYPHENYL)-2-CYCLOPENTEN-1-ONE;INVOLUTIN
SpectraBase Compound ID 7vJEJ9kbEyt
InChI InChI=1S/C17H14O6/c18-10-4-1-8(2-5-10)13-15(21)14(17(23)16(13)22)9-3-6-11(19)12(20)7-9/h1-7,14,17-20,22-23H/t14-,17-/m0/s1
InChIKey BXQWVJOTBFQSHB-YOEHRIQHSA-N
Mol Weight 314.29 g/mol
Molecular Formula C17H14O6
Exact Mass 314.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpsbUhC1VZr
Name (-)-Involutin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O6
InChI InChI=1S/C17H14O6/c18-10-4-1-8(2-5-10)13-15(21)14(17(23)16(13)22)9-3-6-11(19)12(20)7-9/h1-7,14,17-20,22-23H/t14-,17-/m0/s1
InChIKey BXQWVJOTBFQSHB-YOEHRIQHSA-N
Molecular Weight 314.293 g/mol
SMILES O[C@@]1(C(=C(c2ccc(cc2)O)C([C@@]1(c1cc(O)c(cc1)O)[H])=O)O)[H]
SPLASH splash10-0002-0790000000-42cd483b0a6bf761b797
Source of Spectrum KC-57-7861-1
Synonyms (4S,5R)-5-(3,4-dihydroxyphenyl)-3,4-dihydroxy-2-(4-hydroxyphenyl)-1-cyclopent-2-enone (4S,5R)-5-[3,4-bis(oxidanyl)phenyl]-2-(4-hydroxyphenyl)-3,4-bis(oxidanyl)cyclopent-2-en-1-one
Wiley ID 1625654