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(2R,3S,4R,4aS,7R,8aS)-3,4-Diacetoxy-hexahydro-7-imethyl-2-[(1E)-prop-1-enyl]pyrazano[4,3-b]pyran-5(7H)-one
SpectraBase Compound ID JHPLUQcEso0
InChI InChI=1S/C16H22O7/c1-5-6-11-14(21-9(3)17)15(22-10(4)18)13-12(23-11)7-8(2)20-16(13)19/h5-6,8,11-15H,7H2,1-4H3/b6-5+/t8-,11?,12+,13-,14?,15+/m1/s1
InChIKey XTDZNAGIKDXQID-RZKBSAIISA-N
Mol Weight 326.35 g/mol
Molecular Formula C16H22O7
Exact Mass 326.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3w1YAZ7HPwp
Name (2R,3S,4R,4aS,7R,8aS)-3,4-Diacetoxy-hexahydro-7-imethyl-2-[(1E)-prop-1-enyl]pyrazano[4,3-b]pyran-5(7H)-one
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Formula C16H22O7
InChI InChI=1S/C16H22O7/c1-5-6-11-14(21-9(3)17)15(22-10(4)18)13-12(23-11)7-8(2)20-16(13)19/h5-6,8,11-15H,7H2,1-4H3/b6-5+/t8-,11?,12+,13-,14?,15+/m1/s1
InChIKey XTDZNAGIKDXQID-RZKBSAIISA-N
Molecular Weight 326.345 g/mol
SMILES [C@@]12(C(O[C@@](C[C@@]2(OC(\C=C\C)C([C@]1(OC(=O)C)[H])OC(=O)C)[H])(C)[H])=O)[H]
SPLASH splash10-022c-4960000000-ef505a0ef76ffc704f1e
Source of Spectrum U1-2008-5645-3b
Wiley ID 1662231