ChemSpider 2D Image | Vitisin A | C56H42O12

Vitisin A

  • Molecular FormulaC56H42O12
  • Average mass906.925 Da
  • Monoisotopic mass906.267639 Da
  • ChemSpider ID17288137

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,6R,7S,11bS)-6-(5-{(E)-2-[(2S,3S)-3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]vinyl}-2-hydroxyphenyl)-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydro-2-oxadibe nzo[cd,h]azulen-4,8,10-triol [German] [ACD/IUPAC Name]
(1S,6R,7S,11bS)-6-(5-{(E)-2-[(2S,3S)-3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]vinyl}-2-hydroxyphenyl)-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydro-2-oxadibe nzo[cd,h]azulene-4,8,10-triol [ACD/IUPAC Name]
(1S,6R,7S,11bS)-6-(5-{(E)-2-[(2S,3S)-3-(3,5-Dihydroxyphényl)-6-hydroxy-2-(4-hydroxyphényl)-2,3-dihydro-1-benzofuran-4-yl]vinyl}-2-hydroxyphényl)-1,7-bis(4-hydroxyphényl)-1,6,7,11b-tétrahydro-2-oxadibe nzo[cd,h]azulène-4,8,10-triol [French] [ACD/IUPAC Name]
142449-89-6 [RN]
Benzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol, 6-[5-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2-hydroxyphenyl]-1,6,7,11b-tetrahy dro-1,7-bis(4-hydroxyphenyl)-, (1S,6R,7S,11bS)- [ACD/Index Name]
Vitisin A [Wiki]
(+)-vitisin A
(1S,8S,9R,16S)-9-[5-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
VITISIN A (STILBENOID)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.799
Molar Refractivity: 255.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 7.49
ACD/BCF (pH 5.5): 291921.59
ACD/KOC (pH 5.5): 284002.66
ACD/LogD (pH 7.4): 7.49
ACD/BCF (pH 7.4): 289746.06
ACD/KOC (pH 7.4): 281885.84
Polar Surface Area: 221 Å2
Polarizability: 101.1±0.5 10-24cm3
Surface Tension: 86.4±3.0 dyne/cm
Molar Volume: 597.3±3.0 cm3

Click to predict properties on the Chemicalize site


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