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[(2R,4aR,5aR,11aS,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,11aS,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 CPHd3plCaof
InChI InChI=1S/C22H20O7/c23-17(24)10-14-19-16(11-26-22(29-19)12-6-2-1-3-7-12)28-21-18(25)13-8-4-5-9-15(13)27-20(14)21/h1-9,14,16,19-22H,10-11H2,(H,23,24)/t14-,16+,19+,20-,21-,22+/m0/s1
InChIKey MZKHGBORAJWNQJ-UVETWTDASA-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 CVloOtAyZBg
Name [(2R,4aR,5aR,11aS,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 131615-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O7
InChI InChI=1S/C22H20O7/c23-17(24)10-14-19-16(11-26-22(29-19)12-6-2-1-3-7-12)28-21-18(25)13-8-4-5-9-15(13)27-20(14)21/h1-9,14,16,19-22H,10-11H2,(H,23,24)/t14-,16+,19+,20-,21-,22+/m0/s1
InChIKey MZKHGBORAJWNQJ-UVETWTDASA-N
Molecular Weight 396.395 g/mol
SMILES OC(C[C@@]1([C@]2([C@@](O[C@]3([C@@]1(O[C@@](OC3)(c1ccccc1)[H])[H])[H])(C(c1c(cccc1)O2)=O)[H])[H])[H])=O
SPLASH splash10-0076-7901000000-e3c70c486c4613dd7d0a
Source of Spectrum H-73-1929-21
Synonyms [(2R,4aR,5aR,11aS,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]acetic acid
Wiley ID 1367444