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TRANS-(+/-)-KIELCORIN-B

View entire compound with spectra: 1 NMR, and 1 MS (GC)

TRANS-(+/-)-KIELCORIN-B
SpectraBase Compound ID FHlf71LtbWa
InChI InChI=1S/C24H20O8/c1-28-17-9-12(7-8-15(17)26)21-19(11-25)30-18-10-14-20(27)13-5-3-4-6-16(13)31-22(14)24(29-2)23(18)32-21/h3-10,19,21,25-26H,11H2,1-2H3/t19-,21-/m1/s1
InChIKey UAKDXWJCGFXXGI-TZIWHRDSSA-N
Mol Weight 436.42 g/mol
Molecular Formula C24H20O8
Exact Mass 436.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKJQoGZNigO
Name (2R,3R)-2-(hydroxymethyl)-5-methoxy-3-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-[1,4]dioxino[2,3-b]xanthen-11-one
Alternate Name(s) (2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-b]xanthen-11-one (2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-2-methylol-2,3-dihydro-[1,4]dioxino[2,3-b]xanthen-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20O8
InChI InChI=1S/C24H20O8/c1-28-17-9-12(7-8-15(17)26)21-19(11-25)30-18-10-14-20(27)13-5-3-4-6-16(13)31-22(14)24(29-2)23(18)32-21/h3-10,19,21,25-26H,11H2,1-2H3/t19-,21-/m1/s1
InChIKey UAKDXWJCGFXXGI-TZIWHRDSSA-N
Molecular Weight 436.416 g/mol
SMILES Oc1c(cc([C@@]2([C@@](CO)(Oc3c(O2)c(c2c(c3)C(c3c(O2)cccc3)=O)OC)[H])[H])cc1)OC
SPLASH splash10-014r-6930600000-2430d65472395aa11731
Source of Spectrum H1-51-827-1
Wiley ID 817187