(2S)-1-[3,5-Bis(3-Butyryl-2,6-Dihydroxy-4-Methoxy-5-Methylbenzyl)-2,4,6-Trihydroxyphenyl]-2-Methyl-1-Butanone

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Properties Simple | Detailed

Formula C37H46O12
IUPAC Name 2,4-bis[(3-butanoyl-4-methoxy-5-methyl-2,6-dioxido-phenyl)methyl]-6-[(2s)-2-methylbutanoyl]benzene-1,3,5-triolate
Molecular Mass 682.754 g·mol−1
Heat of Formation 2508.3 ± 16.7 kJ·mol−1
Dipole Moment 6.22 ± 1.08 D
Volume 683.68 Å 3
Surface Area 490.99 Å 2
Point Group Symmetry C1
Synonyms
  • (2s)-1-[3,5-bis(3-butyryl-2,6-dihydroxy-4-methoxy-5-methyl-benzyl)-2,4,6-trihydroxy-phenyl]-2-methyl-butan-1-one
  • (2s)-1-[3,5-bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methyl-phenyl)methyl]-2,4,6-trihydroxy-phenyl]-2-methyl-butan-1-one
  • (2s)-1-[3,5-bis[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]-2-methylbutan-1-one
  • (2s)-1-[3,5-bis[[2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-2,4,6-trihydroxyphenyl]-2-methylbutan-1-one
  • 1-butanone, 1-(3,5-bis((2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)-2,4,6-trihydroxyphenyl)-2-methyl-, (s)-
CAS Number(s)
  • 55576-66-4
InChIKey BVLHMPZMQVWDGX-INIZCTEOSA-N
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