ChemSpider 2D Image | (11R,12R,15R,24S,25S)-12-Hydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.0~3,7~.0~8,22~.0~16,21~]pentacosa-1(22),2,7,16,18,20-hexaen-13-one | C28H34O9

(11R,12R,15R,24S,25S)-12-Hydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1(22),2,7,16,18,20-hexaen-13-one

  • Molecular FormulaC28H34O9
  • Average mass514.564 Da
  • Monoisotopic mass514.220276 Da
  • ChemSpider ID4476548

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(11R,12R,15R,24S,25S)-12-Hydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1(22),2,7,16,18,20-hexaen-13-on [German] [ACD/IUPAC Name]
(11R,12R,15R,24S,25S)-12-Hydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1(22),2,7,16,18,20-hexaen-13-one [ACD/IUPAC Name]
(11R,12R,15R,24S,25S)-12-Hydroxy-18,19,20-triméthoxy-11,12,24,25-tétraméthyl-4,6,9,14-tétraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1(22),2,7,16,18,20-hexaén-13-one [French] [ACD/IUPAC Name]
10,15-Propano-10H-1,3,4,9-tetraoxabenzo[3,4]cycloundec[1,2-e]inden-8(5H)-one, 6,7-dihydro-7-hydroxy-12,13,14-trimethoxy-6,7,18,19-tetramethyl-, (6R,7R,10R,18S,19S)- [ACD/Index Name]
Gomisin E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 218.4±25.0 °C
Index of Refraction: 1.546
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 583.60
ACD/KOC (pH 5.5): 3323.44
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 583.59
ACD/KOC (pH 7.4): 3323.41
Polar Surface Area: 102 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 423.6±3.0 cm3

Click to predict properties on the Chemicalize site


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