(1S,2S,3S)-1,8-Dihydroxy-3-Methyl-1-(3-Methylbutyl)-4-Oxo-1,2,3,4-Tetrahydro-2-Anthracenecarboperoxoic Acid

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Properties Simple | Detailed

Formula C21H24O6
IUPAC Name (1s,2s,3s)-1,8-dihydroxy-1-isopentyl-3-methyl-4-oxo-2,3-dihydroanthracene-2-carboperoxoic acid
Molecular Mass 372.412 g·mol−1
Heat of Formation -784.0 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 439.72 Å 3
Surface Area 361.47 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3s)-1,8-dihydroxy-1-isoamyl-4-keto-3-methyl-2,3-dihydroanthracene-2-carboperoxoic acid
  • (1s,2s,3s)-1,8-dihydroxy-1-isopentyl-3-methyl-4-oxo-2,3-dihydroanthracene-2-carboperoxoic acid
  • (1s,2s,3s)-1,8-dihydroxy-3-methyl-1-(3-methylbutyl)-4-oxo-2,3-dihydroanthracene-2-carboperoxoic acid
  • 2-anthracenecarboxylic acid, 1,2,3,4-tetrahydro-1,2,8-trihydroxy-3-methyl-1-(3-methylbutyl)-4-oxo-, (1alpha,2beta,3alpha)-(+)-
  • rishirilide b
CAS Number(s)
  • 93361-67-2
InChIKey STXVCFZKJAHSFN-VXOKYEDTSA-N
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