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CHAETOXANTHONE_C
SpectraBase Compound ID HJasQB5rrBK
InChI InChI=1S/C20H19ClO6/c1-9-5-3-7-12(26-9)14-18(23)15-17(22)13-10(25-2)6-4-8-11(13)27-20(15)16(21)19(14)24/h4,6,8-9,12,23-24H,3,5,7H2,1-2H3/t9-,12-/m1/s1
InChIKey MWYMVCYBLZZWPG-BXKDBHETSA-N
Mol Weight 390.82 g/mol
Molecular Formula C20H19ClO6
Exact Mass 390.087016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FcKhEaDim0
Name (2'R,6'R)-1,3-Dihydroxy-4-chloro-2-(6'-methyl-tetrahydropyran-2'-yl)-8-methoxy-xanthone
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Formula C20H19ClO6
InChI InChI=1S/C20H19ClO6/c1-9-5-3-7-12(26-9)14-18(23)15-17(22)13-10(25-2)6-4-8-11(13)27-20(15)16(21)19(14)24/h4,6,8-9,12,23-24H,3,5,7H2,1-2H3/t9-,12-/m1/s1
InChIKey MWYMVCYBLZZWPG-BXKDBHETSA-N
Molecular Weight 390.819 g/mol
SMILES Oc1c(c(c2c(c1Cl)Oc1cccc(c1C2=O)OC)O)[C@@]1(O[C@@](C)([H])CCC1)[H]
SPLASH splash10-0006-0009000000-9bf29e8e0760027ae93f
Source of Spectrum G4-71-1583-3
Synonyms Chaetoxanthene C 4-Chloro-1,3-dihydroxy-8-methoxy-2-[(2R,6R)-6-methyl-2-oxanyl]-9-xanthenone 4-Chloro-1,3-dihydroxy-8-methoxy-2-[(2R,6R)-6-methyloxan-2-yl]xanthen-9-one 4-Chloro-1,3-dihydroxy-8-methoxy-2-[(2R,6R)-6-methyltetrahydropyran-2-yl]xanthen-9-one 4-Chloranyl-8-methoxy-2-[(2R,6R)-6-methyloxan-2-yl]-1,3-bis(oxidanyl)xanthen-9-one
Wiley ID 1695065