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CYCLOEPOXYTRIOL-A
SpectraBase Compound ID HLbaKYxQCTw
InChI InChI=1S/C12H18O5/c1-2-3-6-9(14)7-5(4-16-6)8(13)11-12(17-11)10(7)15/h6,8-15H,2-4H2,1H3/t6-,8-,9+,10+,11+,12-/m1/s1
InChIKey AESCGIUGTAAQDV-SZBONWBGSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wm8Wl6PqMN
Name (1aR,2S,3R,4R,7R,7aS)-4-Propyl-2,3,4,6,7,7a-hexahydro-1aH-1,5-dioxa-cyclopropa[b]naphthalene-2,3,7-triol
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Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-2-3-6-9(14)7-5(4-16-6)8(13)11-12(17-11)10(7)15/h6,8-15H,2-4H2,1H3/t6-,8-,9+,10+,11+,12-/m1/s1
InChIKey AESCGIUGTAAQDV-SZBONWBGSA-N
Molecular Weight 242.271 g/mol
SMILES O[C@@]1(C2=C([C@@]([C@@]3([C@]1(O3)[H])[H])(O)[H])[C@]([C@](OC2)(CCC)[H])(O)[H])[H]
SPLASH splash10-05fr-9710000000-c5d33fb37ebb48e6ce5c
Source of Spectrum U1-2009-754-2
Synonyms Cycloepoxytriol A (1aS,2R,5R,6R,7S,7aR)-5-propyl-2,3,5,6,7,7a-hexahydro-1aH-oxireno[2,3-g][2]benzopyran-2,6,7-triol (1aS,2R,5R,6R,7S,7aR)-5-propyl-2,3,5,6,7,7a-hexahydro-1aH-oxireno[2,3-g]isochromene-2,6,7-triol
Wiley ID 1710640