ChemSpider 2D Image | (3Z,5E,7R,8S,10S,11Z,13S,14R,15S,17R,20R)-8,10,14-Trihydroxy-20-[(2R,3S,4S,5Z)-3-hydroxy-4-methyl-5,7-octadien-2-yl]-7,13,15,17-tetramethyloxacycloicosa-3,5,11-trien-2-one | C32H52O6

(3Z,5E,7R,8S,10S,11Z,13S,14R,15S,17R,20R)-8,10,14-Trihydroxy-20-[(2R,3S,4S,5Z)-3-hydroxy-4-methyl-5,7-octadien-2-yl]-7,13,15,17-tetramethyloxacycloicosa-3,5,11-trien-2-one

  • Molecular FormulaC32H52O6
  • Average mass532.752 Da
  • Monoisotopic mass532.376404 Da
  • ChemSpider ID20564086

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3Z,5E,7R,8S,10S,11Z,13S,14R,15S,17R,20R)-8,10,14-Trihydroxy-20-[(2R,3S,4S,5Z)-3-hydroxy-4-methyl-5,7-octadien-2-yl]-7,13,15,17-tetramethyloxacycloicosa-3,5,11-trien-2-on [German] [ACD/IUPAC Name]
(3Z,5E,7R,8S,10S,11Z,13S,14R,15S,17R,20R)-8,10,14-Trihydroxy-20-[(2R,3S,4S,5Z)-3-hydroxy-4-methyl-5,7-octadien-2-yl]-7,13,15,17-tetramethyloxacycloicosa-3,5,11-trien-2-one [ACD/IUPAC Name]
(3Z,5E,7R,8S,10S,11Z,13S,14R,15S,17R,20R)-8,10,14-Trihydroxy-20-[(2R,3S,4S,5Z)-3-hydroxy-4-méthyl-5,7-octadién-2-yl]-7,13,15,17-tétraméthyloxacycloicosa-3,5,11-trién-2-one [French] [ACD/IUPAC Name]
(3Z,5E,7R,8S,10S,11Z,13S,14R,15S,17R,20R)-8,10,14-trihydroxy-20-[(2R,3S,4S,5Z)-3-hydroxy-4-methylocta-5,7-dien-2-yl]-7,13,15,17-tetramethyloxacycloicosa-3,5,11-trien-2-one
Oxacycloeicosa-3,5,11-trien-2-one, 8,10,14-trihydroxy-20-[(1R,2S,3S,4Z)-2-hydroxy-1,3-dimethyl-4,6-heptadien-1-yl]-7,13,15,17-tetramethyl-, (3Z,5E,7R,8S,10S,11Z,13S,14R,15S,17R,20R)- [ACD/Index Name]
(3Z,5E,11Z)-(7R,8S,10S,13S,14R,15S,17R,20R)-8,10,14-Trihydroxy-20-((Z)-(1R,2S,3S)-2-hydroxy-1,3-dimethyl-hepta-4,6-dienyl)-7,13,15,17-tetramethyl-oxacycloicosa-3,5,11-trien-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL427287/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 708.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 218.4±26.4 °C
Index of Refraction: 1.494
Molar Refractivity: 154.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2513.23
ACD/KOC (pH 5.5): 9451.09
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2513.23
ACD/KOC (pH 7.4): 9451.08
Polar Surface Area: 107 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 531.3±3.0 cm3

Click to predict properties on the Chemicalize site


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