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TUPICHINOL-C;(2R)-7,4'-DIHYDROXYFLAVAN
SpectraBase Compound ID 2LIXGT0ljfU
InChI InChI=1S/C15H14O3/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14/h1-3,5-7,9,14,16-17H,4,8H2/t14-/m1/s1
InChIKey YXMLGIGHGPSEKA-CQSZACIVSA-N
Mol Weight 242.27 g/mol
Molecular Formula C15H14O3
Exact Mass 242.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uEhsuo8eRf
Name (2R)-7,4'-Dihydroxylflavan
Alternate Name(s) Tupichinol C
Appearance Colorless plates
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14O3
InChI InChI=1S/C15H14O3/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14/h1-3,5-7,9,14,16-17H,4,8H2/t14-/m1/s1
InChIKey YXMLGIGHGPSEKA-CQSZACIVSA-N
Instrument Name JEOL JMS-SX/SX 102A or Quattro GC/MS
Ionization Type EI
Literature Reference DOI 10.1021/np0203382
Molecular Weight 242.274 g/mol
Optical Rotation [a]D24 = +190.0 (c = 0.04, CHCl3)
Reported Formula C15H14O3
SMILES Oc1ccc([C@]2(CCc3c(cc(cc3)O)O2)[H])cc1
SPLASH splash10-00di-0910000000-89013b356e3ca2768a01
Source of Spectrum G4-66-167-3
Wiley ID 1881217