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(2R,4aR,5aR,11aR,12R,12aR)-4a,5a,6,11a,12,12a-Hexahydro-6-oxo-2-phenyl-2H,4H-[1,3]dioxino-[4',5':5,6]pyrano[3,2-b][1]benzopyran-12-yl]-acetate

View entire compound with spectra: 1 MS (GC)

(2R,4aR,5aR,11aR,12R,12aR)-4a,5a,6,11a,12,12a-Hexahydro-6-oxo-2-phenyl-2H,4H-[1,3]dioxino-[4',5':5,6]pyrano[3,2-b][1]benzopyran-12-yl]-acetate
SpectraBase Compound ID F9WnRpkpkps
InChI InChI=1S/C22H20O7/c1-12(23)26-20-18-16(11-25-22(29-18)13-7-3-2-4-8-13)28-19-17(24)14-9-5-6-10-15(14)27-21(19)20/h2-10,16,18-22H,11H2,1H3/t16-,18-,19+,20+,21+,22-/m1/s1
InChIKey PHAGNNVDSQYHBC-FLJKZJJVSA-N
Mol Weight 396.4 g/mol
Molecular Formula C22H20O7
Exact Mass 396.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8CqLir8jMR
Name (2R,4aR,5aR,11aR,12R,12aR)-4a,5a,6,11a,12,12a-Hexahydro-6-oxo-2-phenyl-2H,4H-[1,3]dioxino-[4',5':5,6]pyrano[3,2-b][1]benzopyran-12-yl]-acetate
CAS Registry Number 131570-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O7
InChI InChI=1S/C22H20O7/c1-12(23)26-20-18-16(11-25-22(29-18)13-7-3-2-4-8-13)28-19-17(24)14-9-5-6-10-15(14)27-21(19)20/h2-10,16,18-22H,11H2,1H3/t16-,18-,19+,20+,21+,22-/m1/s1
InChIKey PHAGNNVDSQYHBC-FLJKZJJVSA-N
Molecular Weight 396.395 g/mol
SMILES [C@]12([C@@](O[C@]3([C@]([C@@]2(OC(=O)C)[H])(O[C@](c2ccccc2)(OC3)[H])[H])[H])(C(=O)c2c(O1)cccc2)[H])[H]
SPLASH splash10-0076-8901000000-c5d7ba3c4a9b11bddfbe
Source of Spectrum H-73-1928-20
Synonyms (2R,4aR,5aR,11aR,12R,12aR)-6-oxo-2-phenyl-4a,5a,6,11a,12,12a-hexahydro-4H-[1,3]dioxino[4',5':5,6]pyrano[3,2-b]chromen-12-yl acetate
Wiley ID 1367443