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(2R*,3S*,4S*)-4-Hexyl-3,4-dihydro-2-[4'-hydroxy-2'-oxo-2'H-1'-benzopyran-3'-yl]-3-pentyl-2H,5H-pyrano[3,2-c]benzopyran-5-one

View entire compound with spectra: 1 MS (GC)

(2R*,3S*,4S*)-4-Hexyl-3,4-dihydro-2-[4'-hydroxy-2'-oxo-2'H-1'-benzopyran-3'-yl]-3-pentyl-2H,5H-pyrano[3,2-c]benzopyran-5-one
SpectraBase Compound ID 79ssyaPKM6I
InChI InChI=1S/C32H36O6/c1-3-5-7-9-14-20-21(15-8-6-4-2)29(27-28(33)22-16-10-12-18-24(22)36-32(27)35)38-30-23-17-11-13-19-25(23)37-31(34)26(20)30/h10-13,16-21,29,33H,3-9,14-15H2,1-2H3/t20-,21-,29+/m0/s1
InChIKey PBBDIOSSYWYBLX-LRZFZUCMSA-N
Mol Weight 516.6 g/mol
Molecular Formula C32H36O6
Exact Mass 516.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45uyAXtySm
Name (2R*,3S*,4S*)-4-Hexyl-3,4-dihydro-2-[4'-hydroxy-2'-oxo-2'H-1'-benzopyran-3'-yl]-3-pentyl-2H,5H-pyrano[3,2-c]benzopyran-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H36O6
InChI InChI=1S/C32H36O6/c1-3-5-7-9-14-20-21(15-8-6-4-2)29(27-28(33)22-16-10-12-18-24(22)36-32(27)35)38-30-23-17-11-13-19-25(23)37-31(34)26(20)30/h10-13,16-21,29,33H,3-9,14-15H2,1-2H3/t20-,21-,29+/m0/s1
InChIKey PBBDIOSSYWYBLX-LRZFZUCMSA-N
Molecular Weight 516.634 g/mol
SMILES OC1=C([C@]2([C@]([C@@](C3=C(O2)c2ccccc2OC3=O)(CCCCCC)[H])(CCCCC)[H])[H])C(Oc2ccccc12)=O
SPLASH splash10-05ic-0922000000-a369fa34a81ec0e6425d
Source of Spectrum H-76-1201-2
Synonyms (2R,3S,4S)-4-hexyl-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-pentyl-3,4-dihydro-2H,5H-pyrano[3,2-c]chromen-5-one
Wiley ID 1401469