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(+-)-Pancratistatin
SpectraBase Compound ID KIkMGf68I3g
InChI InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12+/m1/s1
InChIKey VREZDOWOLGNDPW-ALTGWBOUSA-N
Mol Weight 325.27 g/mol
Molecular Formula C14H15NO8
Exact Mass 325.079766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbPPfbTA2jL
Name (+-)-Pancratistatin
Alternate Name(s) (1R,2S,3S,4S,4aR,11bR)-1,2,3,4,7-pentakis(oxidanyl)-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
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Formula C14H15NO8
InChI InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12+/m1/s1
InChIKey VREZDOWOLGNDPW-ALTGWBOUSA-N
Molecular Weight 325.273 g/mol
SMILES N1[C@@]2([C@]([C@]([C@@]([C@]([C@]2(O)[H])(O)[H])(O)[H])(O)[H])(c2c(C1=O)c(c1c(OCO1)c2)O)[H])[H]
SPLASH splash10-0a6r-0095000000-e4d75b76eac53ac5fd21
Source of Spectrum F-69-121-1
Wiley ID 1594432