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Asarinin

View entire compound with spectra: 3 NMR, 1 FTIR, and 2 MS (GC)

Asarinin
SpectraBase Compound ID 4ODW8uLXzYe
InChI InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20+/m0/s1
InChIKey PEYUIKBAABKQKQ-WZBLMQSHSA-N
Mol Weight 354.36 g/mol
Molecular Formula C20H18O6
Exact Mass 354.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbBwVO6k8Ru
Name (+)-Asarinin
Alternate Name(s) Episesamin 5-[(3R,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole Asarinin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O6
InChI InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20+/m0/s1
InChIKey PEYUIKBAABKQKQ-WZBLMQSHSA-N
Molecular Weight 354.358 g/mol
SMILES [C@@]12([C@@]([C@@](c3cc4OCOc4cc3)(OC2)[H])(CO[C@]1(c1cc2OCOc2cc1)[H])[H])[H]
SPLASH splash10-0f6t-0901000000-4f7a28b85447c7e26536
Source of Spectrum Va-0-0-0
Wiley ID 742084