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(1S,3R)-Palmarumycin BG2
SpectraBase Compound ID F2OLB987DMk
InChI InChI=1S/C20H16O5/c21-13-7-3-6-12-19(13)14(22)10-17(23)20(12)24-15-8-1-4-11-5-2-9-16(25-20)18(11)15/h1-9,14,17,21-23H,10H2/t14-,17+/m0/s1
InChIKey AIPGFNUXBCTPNS-WMLDXEAASA-N
Mol Weight 336.34 g/mol
Molecular Formula C20H16O5
Exact Mass 336.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kj6WhyVOrmq
Name (1S,3R)-Palmarumycin BG2
Alternate Name(s) (2R,4S)-3,4-dihydro-2H-spiro[naphthalene-1,2'-naphtho[1,8-de][1,3]dioxine]-2,4,5-triol
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Formula C20H16O5
InChI InChI=1S/C20H16O5/c21-13-7-3-6-12-19(13)14(22)10-17(23)20(12)24-15-8-1-4-11-5-2-9-16(25-20)18(11)15/h1-9,14,17,21-23H,10H2/t14-,17+/m0/s1
InChIKey AIPGFNUXBCTPNS-WMLDXEAASA-N
Literature Reference DOI 10.1021/jo1024877
Molecular Weight 336.343 g/mol
SMILES O[C@@]1(c2c(C3([C@@](C1)(O)[H])Oc1c4c(cccc4ccc1)O3)cccc2O)[H]
SPLASH splash10-0cdi-2903000000-570b263d1874ff48c7ad
Source of Spectrum J-76-1828-2
Wiley ID 1744706