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(+-)-cis-4,9,11-Trihydroxy-6a,12a-dihydrorotoxen-12(6H)-one
SpectraBase Compound ID 66wBuOep0US
InChI InChI=1S/C16H12O6/c17-7-4-10(19)14-11(5-7)22-12-6-21-16-8(13(12)15(14)20)2-1-3-9(16)18/h1-5,12-13,17-19H,6H2/t12-,13+/m1/s1
InChIKey KWTQGVYYZTUUJF-OLZOCXBDSA-N
Mol Weight 300.27 g/mol
Molecular Formula C16H12O6
Exact Mass 300.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8IDaDmrekx
Name (+-)-cis-4,9,11-Trihydroxy-6a,12a-dihydrorotoxen-12(6H)-one
Alternate Name(s) (6aS,12aS)-4,9,11-Trihydroxy-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one (6aS,12aS)-4,9,11-trihydroxy-6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O6
InChI InChI=1S/C16H12O6/c17-7-4-10(19)14-11(5-7)22-12-6-21-16-8(13(12)15(14)20)2-1-3-9(16)18/h1-5,12-13,17-19H,6H2/t12-,13+/m1/s1
InChIKey KWTQGVYYZTUUJF-OLZOCXBDSA-N
Molecular Weight 300.266 g/mol
SMILES Oc1c2c([C@@]3(C(c4c(cc(cc4O[C@@]3(CO2)[H])O)O)=O)[H])ccc1
SPLASH splash10-0udj-0901000000-c65b59e4dbd21fc0f0a7
Source of Spectrum KC-0-2596-28
Wiley ID 779982