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6H-[1,3]Benzodioxolo[5,6-c][1]benzopyran-6-one, 1,2,4a,11b-tetrahydro-1,2-dihydroxy-7-(phenylmethoxy)-, (1.alpha.,2.alpha.,4a.alpha.,11b.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

6H-[1,3]Benzodioxolo[5,6-c][1]benzopyran-6-one, 1,2,4a,11b-tetrahydro-1,2-dihydroxy-7-(phenylmethoxy)-, (1.alpha.,2.alpha.,4a.alpha.,11b.alpha.)-(.+-.)-
SpectraBase Compound ID 7kpwDygdL4N
InChI InChI=1S/C21H18O7/c22-13-6-7-14-16(18(13)23)12-8-15-19(27-10-26-15)20(17(12)21(24)28-14)25-9-11-4-2-1-3-5-11/h1-8,13-14,16,18,22-23H,9-10H2/t13-,14-,16-,18-/m1/s1
InChIKey IFLLIHLYSGDMJG-GZOSKZMVSA-N
Mol Weight 382.37 g/mol
Molecular Formula C21H18O7
Exact Mass 382.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpxwNUiddCQ
Name 6H-[1,3]Benzodioxolo[5,6-c][1]benzopyran-6-one, 1,2,4a,11b-tetrahydro-1,2-dihydroxy-7-(phenylmethoxy)-, (1.alpha.,2.alpha.,4a.alpha.,11b.alpha.)-(.+-.)-
CAS Registry Number 120882-48-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O7
InChI InChI=1S/C21H18O7/c22-13-6-7-14-16(18(13)23)12-8-15-19(27-10-26-15)20(17(12)21(24)28-14)25-9-11-4-2-1-3-5-11/h1-8,13-14,16,18,22-23H,9-10H2/t13-,14-,16-,18-/m1/s1
InChIKey IFLLIHLYSGDMJG-GZOSKZMVSA-N
Molecular Weight 382.368 g/mol
SMILES O[C@@]1(C=C[C@]2(OC(c3c([C@]2([C@@]1(O)[H])[H])cc1c(c3OCc2ccccc2)OCO1)=O)[H])[H]
SPLASH splash10-0006-9021000000-cde3cbf0e4afaf4adc54
Source of Spectrum C-111-4835-20
Synonyms (1S,2R,4aR,11bS)-7-(benzyloxy)-1,2-dihydroxy-1,2,4a,11b-tetrahydro-6H-[1,3]benzodioxolo[5,6-c]chromen-6-one [(+-)-(1.alpha.,2.alpha.,4a.alpha.,11b.alpha.)]-1,2,4a,11b-tetrahydro-1,2-dihydroxy-7-(phenylmethoxy)-6H-[1,3]benzodioxolo[5,6-c][1]benzopyran
Wiley ID 1360536