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(3S,4S,5S,6S,10S)-4-Azido-6-benzyloxy-5,8-dihydroxy-3-methyl-5,6,7,4a-tetrahydroisochroman-1-one
SpectraBase Compound ID JHxZ3ylq9wR
InChI InChI=1S/C17H19N3O5/c1-9-15(19-20-18)14-13(17(23)25-9)11(21)7-12(16(14)22)24-8-10-5-3-2-4-6-10/h2-6,9,12,14-16,21-22H,7-8H2,1H3/t9-,12-,14?,15+,16+/m0/s1
InChIKey HKLZRNHXOYZUED-JNKDVGGZSA-N
Mol Weight 345.36 g/mol
Molecular Formula C17H19N3O5
Exact Mass 345.132471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AH7lS04h3SE
Name (3S,4S,5S,6S,10S)-4-Azido-6-benzyloxy-5,8-dihydroxy-3-methyl-5,6,7,4a-tetrahydroisochroman-1-one
Alternate Name(s) (3S,4S,5S,6S)-4-azido-6-(benzyloxy)-5,8-dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-2-benzopyran-1-one
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Formula C17H19N3O5
InChI InChI=1S/C17H19N3O5/c1-9-15(19-20-18)14-13(17(23)25-9)11(21)7-12(16(14)22)24-8-10-5-3-2-4-6-10/h2-6,9,12,14-16,21-22H,7-8H2,1H3/t9-,12-,14?,15+,16+/m0/s1
InChIKey HKLZRNHXOYZUED-JNKDVGGZSA-N
Molecular Weight 345.355 g/mol
SMILES O[C@]1(C2C(=C(C[C@@]1(OCc1ccccc1)[H])O)C(O[C@]([C@]2(N=[N+]=[N-])[H])(C)[H])=O)[H]
SPLASH splash10-0006-9000000000-8354f65769763e685d59
Source of Spectrum F-62-6938-32
Wiley ID 1639844