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2-Epifargesin

View entire compound with spectra: 2 MS (GC)

2-Epifargesin
SpectraBase Compound ID 5i7bDj0wQjc
InChI InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20+,21+/m1/s1
InChIKey AWOGQCSIVCQXBT-RPQNVMPDSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDr3WDsdN9X
Name 2-Epifargesin
Alternate Name(s) 5-[(1R,3aS,4R,6aS)-4-(3,4-Dimethoxy-phenyl)-tetrahydro-furo[3,4-c]furan-1-yl]-benzo[1,3]dioxole
CAS Registry Number 62839-87-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20+,21+/m1/s1
InChIKey AWOGQCSIVCQXBT-RPQNVMPDSA-N
Molecular Weight 370.401 g/mol
SMILES [C@]12([C@]([C@](c3cc4OCOc4cc3)(OC2)[H])(CO[C@]1(c1cc(OC)c(cc1)OC)[H])[H])[H]
SPLASH splash10-0g4j-0869000000-272ccce03ecea51c7617
Source of Spectrum K-110-314-60
Wiley ID 1354308