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2'.alpha.,3'.alpha.-Dihydro-2'.alpha.,3'.alpha.-epoxyabscisic acid
SpectraBase Compound ID 1NXYy4VjUeh
InChI InChI=1S/C15H20O5/c1-9(7-11(17)18)5-6-15(19)13(2,3)8-10(16)12-14(15,4)20-12/h5-7,12,19H,8H2,1-4H3,(H,17,18)/b6-5+,9-7-/t12-,14-,15+/m1/s1
InChIKey LTFJVAGATJTPPP-ZNDSGQFKSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AF4PdvV1Z6j
Name 2'.alpha.,3'.alpha.-Dihydro-2'.alpha.,3'.alpha.-epoxyabscisic acid
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Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-9(7-11(17)18)5-6-15(19)13(2,3)8-10(16)12-14(15,4)20-12/h5-7,12,19H,8H2,1-4H3,(H,17,18)/b6-5+,9-7-/t12-,14-,15+/m1/s1
InChIKey LTFJVAGATJTPPP-ZNDSGQFKSA-N
Molecular Weight 280.320 g/mol
SMILES OC(\C=C/(\C=C\[C@]1([C@]2([C@@](C(=O)CC1(C)C)(O2)[H])C)O)C)=O
SPLASH splash10-0gw0-4910000000-309ba51adcc7abbee5a2
Source of Spectrum F-51-6920-6
Synonyms (2Z,4E)-5-[(1R,2S,6S)-2-hydroxy-1,3,3-trimethyl-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-3-methyl-2,4-pentadienoic acid (2Z,4E)-5-[(1S,5S,6R)-5-hydroxy-4,4,6-trimethyl-2-oxo-7-oxabicyclo[4.1.0]heptan-5-yl]-3-methylpenta-2,4-dienoic acid (2Z,4E)-5-[(1S,5S,6R)-5-hydroxy-4,4,6-trimethyl-2-oxo-7-oxabicyclo[4.1.0]heptan-5-yl]-3-methyl-penta-2,4-dienoic acid (2Z,4E)-3-methyl-5-[(1S,5S,6R)-4,4,6-trimethyl-5-oxidanyl-2-oxidanylidene-7-oxabicyclo[4.1.0]heptan-5-yl]penta-2,4-dienoic acid
Wiley ID 792156