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2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 5-hydroxy-8,8-dimethyl-6-(2-methyl-1-oxobutyl)-4-pentyl-, (.+-.)-
SpectraBase Compound ID 1AbVV2NAJ17
InChI InChI=1S/C24H30O5/c1-6-8-9-10-15-13-17(25)28-22-16-11-12-24(4,5)29-23(16)19(21(27)18(15)22)20(26)14(3)7-2/h11-14,27H,6-10H2,1-5H3
InChIKey YBYLFVYSBOCFRD-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H17zNG10l2c
Name 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 5-hydroxy-8,8-dimethyl-6-(2-methyl-1-oxobutyl)-4-pentyl-, (.+-.)-
CAS Registry Number 111761-44-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-6-8-9-10-15-13-17(25)28-22-16-11-12-24(4,5)29-23(16)19(21(27)18(15)22)20(26)14(3)7-2/h11-14,27H,6-10H2,1-5H3
InChIKey YBYLFVYSBOCFRD-UHFFFAOYSA-N
Molecular Weight 398.499 g/mol
SMILES Oc1c2c(OC(C=C2CCCCC)=O)c2c(c1C(=O)C(CC)C)OC(C=C2)(C)C
SPLASH splash10-001j-0009000000-5e054448918d453696ff
Source of Spectrum KC-1987-328-2
Synonyms (.+-.)-Mammea C/AB cyclo D 5-Hydroxy-8,8-dimethyl-6-(2-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one 5-Hydroxy-8,8-dimethyl-6-(2-methylbutanoyl)-4-pentyl-2H,8H-pyrano[2,3-f]chromen-2-one
Wiley ID 1368543