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Nodulisporin E

View entire compound with spectra: 1 MS (GC)

Nodulisporin E
SpectraBase Compound ID CZhkmTqn03O
InChI InChI=1S/C21H20O4/c1-12-11-15(20-16(22)6-4-8-18(20)25-12)14-10-9-13-5-3-7-17(24-2)19(13)21(14)23/h3-10,12,15,22-23H,11H2,1-2H3/t12-,15+/m1/s1
InChIKey AMBHNTRZMVWXPD-DOMZBBRYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iE4V5KSzPx
Name Nodulisporin E
Alternate Name(s) (2R,4S)-4-(1-hydroxy-8-methoxy-2-naphthalenyl)-2-methyl-3,4-dihydro-2H-1-benzopyran-5-ol (2R,4S)-4-(1-hydroxy-8-methoxynaphthalen-2-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol (2R,4S)-4-(8-methoxy-1-oxidanyl-naphthalen-2-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol
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Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-12-11-15(20-16(22)6-4-8-18(20)25-12)14-10-9-13-5-3-7-17(24-2)19(13)21(14)23/h3-10,12,15,22-23H,11H2,1-2H3/t12-,15+/m1/s1
InChIKey AMBHNTRZMVWXPD-DOMZBBRYSA-N
Molecular Weight 336.387 g/mol
SMILES Oc1c([C@]2(c3c(cccc3O[C@@](C2)(C)[H])O)[H])ccc2cccc(c12)OC
SPLASH splash10-000t-9601000000-013af7b0af7a9cbc2dd7
Source of Spectrum U1-2009-1568-2
Wiley ID 1662752