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Palmarumycin BG5
SpectraBase Compound ID HCQrQgSo54G
InChI InChI=1S/C20H15ClO5/c21-17-18(23)16-11(6-3-7-12(16)22)20(19(17)24)25-13-8-1-4-10-5-2-9-14(26-20)15(10)13/h1-9,17-19,22-24H/t17-,18+,19-/m1/s1
InChIKey HMNTVNBFGYYJPC-CEXWTWQISA-N
Mol Weight 370.79 g/mol
Molecular Formula C20H15ClO5
Exact Mass 370.060801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lsz6pWGq62
Name Palmarumycin BG5
Alternate Name(s) (2S,3R,4S)-3-chloro-3,4-dihydro-2H-spiro[naphthalene-1,2'-naphtho[1,8-de][1,3]dioxine]-2,4,5-triol
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Formula C20H15ClO5
InChI InChI=1S/C20H15ClO5/c21-17-18(23)16-11(6-3-7-12(16)22)20(19(17)24)25-13-8-1-4-10-5-2-9-14(26-20)15(10)13/h1-9,17-19,22-24H/t17-,18+,19-/m1/s1
InChIKey HMNTVNBFGYYJPC-CEXWTWQISA-N
Literature Reference DOI 10.1021/jo1024877
Molecular Weight 370.788 g/mol
SMILES O[C@]1(c2c(C3([C@@]([C@@]1(Cl)[H])(O)[H])Oc1c4c(O3)cccc4ccc1)cccc2O)[H]
SPLASH splash10-07cr-2908000000-fb9a5d69cf6943672c33
Source of Spectrum J-76-1828-5
Wiley ID 1744707