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ChemSpider 2D Image | Tricrocin | C38H54O19

Tricrocin

  • Molecular FormulaC38H54O19
  • Average mass814.824 Da
  • Monoisotopic mass814.325928 Da
  • ChemSpider ID17216203
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 15 defined stereocentres


More details:





Date of deprecation: 14:31, Aug 12, 2015
Reason for deprecation: Deprecate record: 9 undefined stereocentres

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Tricrocin
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tétraméthyl-2,4,6,8,10,12,14-hexadécaheptaènedioate de (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yle et de (2R,3S,4R,5S,6S)-3,4,5-tri hydroxy-6-({[3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yle [French] [ACD/IUPAC Name]
(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-p yran-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate [ACD/IUPAC Name]
(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl-(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-p yran-2-yl-(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaendioat [German] [ACD/IUPAC Name]
55750-84-0 [RN]
crocetin-(β-d-gentiobiosyl)-(β-d-glucosyl)-ester
crocetin-(β-δ-gentiobiosyl)-(β-δ-glucosyl)-ester
10,12,14-heptaenedioate
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (6S)-3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (6S)-3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 1032.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.8±6.0 kJ/mol
Flash Point: 309.8±27.8 °C
Index of Refraction: 1.636
Molar Refractivity: 197.6±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.97
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.97
Polar Surface Area: 312 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 80.5±5.0 dyne/cm
Molar Volume: 551.3±5.0 cm3

Click to predict properties on the Chemicalize site






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