Aloin B

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Properties Simple | Detailed

Formula C21H22O9
IUPAC Name (10r)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-10h-anthracen-9-one
Molecular Mass 418.394 g·mol−1
Heat of Formation -1487.2 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 456.75 Å 3
Surface Area 362.09 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • (10r)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-10h-anthracen-9-one
  • (10r)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10h-anthracen-9-one
  • (10r)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-10h-anthracen-9-one
  • (10r)-1,8-dihydroxy-3-methylol-10-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-10h-anthracen-9-one
  • (r)-10-beta-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)anthracen-9(10h)-one
  • 1,8-dihydroxy-3-hydroxymethyl-10-(6-hydroxymethyl-3,4,5-trihydroxy-2-pyranyl)anthrone
  • 10-(1',5'-anhydroglucosyl)aloe-emodin-9-anthrone
  • 10-beta-d-glucopyranosyl-1,8-dihydroxy-3-hydroxymethyl-9(10h)-anthrone,(r)-
  • 10-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10h)-anthracenone
  • aloinum
  • barbaloin
CAS Number(s)
  • 1415-73-2
  • 10361-17-8
  • 11019-96-8
  • 25429-08-7
  • 31017-11-5
  • 31048-97-2
  • 5133-19-7
InChIKey AFHJQYHRLPMKHU-WEZNYRQKSA-N
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