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(1S,3aR,4S,6aR)-4-(1,3-Benzodioxol-5-yl)-tetrahydro-1H,3H-furo[3,4-c]furan-1-ol (+)-Samin
SpectraBase Compound ID AzSIfRDvPyS
InChI InChI=1S/C13H14O5/c14-13-9-5-15-12(8(9)4-16-13)7-1-2-10-11(3-7)18-6-17-10/h1-3,8-9,12-14H,4-6H2/t8-,9-,12+,13-/m0/s1
InChIKey DRUQKRWRXOUEGS-NGERZBJRSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CXf8cdt56
Name (1S,3aR,4S,6aR)-4-(1,3-Benzodioxol-5-yl)-tetrahydro-1H,3H-furo[3,4-c]furan-1-ol (+)-Samin
Alternate Name(s) (1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c14-13-9-5-15-12(8(9)4-16-13)7-1-2-10-11(3-7)18-6-17-10/h1-3,8-9,12-14H,4-6H2/t8-,9-,12+,13-/m0/s1
InChIKey DRUQKRWRXOUEGS-NGERZBJRSA-N
Molecular Weight 250.250 g/mol
SMILES O[C@@]1([C@@]2([C@@]([C@@](c3cc4OCOc4cc3)(OC2)[H])(CO1)[H])[H])[H]
SPLASH splash10-0udj-2910000000-fb77c6f1a12c6012b3f7
Source of Spectrum J-61-2689-11
Wiley ID 1253117