ChemSpider 2D Image | (5R,6S,7S,8S)-8-Acetoxy-1,6-dihydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl (2E)-3-phenylacrylate | C34H38O11

(5R,6S,7S,8S)-8-Acetoxy-1,6-dihydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl (2E)-3-phenylacrylate

  • Molecular FormulaC34H38O11
  • Average mass622.659 Da
  • Monoisotopic mass622.241394 Da
  • ChemSpider ID23340839

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de (5R,6S,7S,8S)-8-acétoxy-1,6-dihydroxy-2,3,10,11,12-pentaméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrodibenzo[a,c][8]annulén-5-yle [French] [ACD/IUPAC Name]
(5R,6S,7S,8S)-8-Acetoxy-1,6-dihydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(5R,6S,7S,8S)-8-Acetoxy-1,6-dihydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (5R,6S,7S,8S)-8-(acetyloxy)-5,6,7,8-tetrahydro-1,6-dihydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyldibenzo[a,c]cycloocten-5-yl ester, (2E)- [ACD/Index Name]
(5R,6S,7S,8S)-8-(acetyloxy)-1,6-dihydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl (2E)-3-phenylprop-2-enoate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL450645/
Kadangustin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 230.6±26.4 °C
Index of Refraction: 1.609
Molar Refractivity: 163.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1044.12
ACD/KOC (pH 5.5): 5038.07
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 949.14
ACD/KOC (pH 7.4): 4579.75
Polar Surface Area: 139 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 471.9±5.0 cm3

Click to predict properties on the Chemicalize site


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