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2H,6H-Benzo[1,2-b:5,4-b']dipyran-2-one, 7,8-dihydro-5,7-dihydroxy-8,8-dimethyl-10-(1-oxobutyl)-4-propyl-, (.+-.)-
SpectraBase Compound ID IR0EBLimuhv
InChI InChI=1S/C21H26O6/c1-5-7-11-9-15(24)26-20-16(11)18(25)12-10-14(23)21(3,4)27-19(12)17(20)13(22)8-6-2/h9,14,23,25H,5-8,10H2,1-4H3
InChIKey JKOPHYFSGRCMOF-UHFFFAOYSA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 700B9cVbVTT
Name 2H,6H-Benzo[1,2-b:5,4-b']dipyran-2-one, 7,8-dihydro-5,7-dihydroxy-8,8-dimethyl-10-(1-oxobutyl)-4-propyl-, (.+-.)-
Alternate Name(s) (.+-.)-Mammea B/BC cyclo E 10-butyryl-5,7-dihydroxy-8,8-dimethyl-4-propyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one 7,8-Dihydro-5,7-dihydroxy-8,8-dimethyl-10-(1-oxobutyl)-4-propyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one
CAS Registry Number 111761-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-5-7-11-9-15(24)26-20-16(11)18(25)12-10-14(23)21(3,4)27-19(12)17(20)13(22)8-6-2/h9,14,23,25H,5-8,10H2,1-4H3
InChIKey JKOPHYFSGRCMOF-UHFFFAOYSA-N
Molecular Weight 374.433 g/mol
SMILES Oc1c2c(OC(C(C2)O)(C)C)c(c2c1C(=CC(O2)=O)CCC)C(=O)CCC
SPLASH splash10-053r-0039000000-74a6f386201e62f9cfa5
Source of Spectrum KC-1987-329-4
Wiley ID 1356648