ChemSpider 2D Image | (4R,8S,9E,11S,13E,15E,18R)-4-Hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]oxacyclooctadeca-9,13,15-trien-2-one | C27H42O4

(4R,8S,9E,11S,13E,15E,18R)-4-Hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]oxacyclooctadeca-9,13,15-trien-2-one

  • Molecular FormulaC27H42O4
  • Average mass430.620 Da
  • Monoisotopic mass430.308319 Da
  • ChemSpider ID40256872

  • 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

(4R,8S,9E,11S,13E,15E,18R)-4-Hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]oxacyclooctadeca-9,13,15-trien-2-on [German] [ACD/IUPAC Name]
(4R,8S,9E,11S,13E,15E,18R)-4-Hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]oxacyclooctadeca-9,13,15-trien-2-one [ACD/IUPAC Name]
(4R,8S,9E,11S,13E,15E,18R)-4-Hydroxy-8-méthoxy-9,11-diméthyl-18-[(1Z,4E)-2-méthyl-1,4-hexadién-1-yl]oxacyclooctadéca-9,13,15-trién-2-one [French] [ACD/IUPAC Name]
Oxacyclooctadeca-9,13,15-trien-2-one, 4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methyl-1,4-hexadien-1-yl]-, (4R,8S,9E,11S,13E,15E,18R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 582.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.0±6.0 kJ/mol
Flash Point: 185.0±23.6 °C
Index of Refraction: 1.517
Molar Refractivity: 129.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21367.98
ACD/KOC (pH 5.5): 43735.14
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21367.98
ACD/KOC (pH 7.4): 43735.14
Polar Surface Area: 56 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 39.0±5.0 dyne/cm
Molar Volume: 427.2±5.0 cm3

Click to predict properties on the Chemicalize site


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