ChemSpider 2D Image | (4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-3-Butyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one | C33H54O10

(4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-3-Butyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one

  • Molecular FormulaC33H54O10
  • Average mass610.776 Da
  • Monoisotopic mass610.371704 Da
  • ChemSpider ID9709341
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres


More details:






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

(4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-3-Butyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-on [German] [ACD/IUPAC Name]
(4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-3-Butyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one [ACD/IUPAC Name]
(4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-3-Butyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-diméthyloxacyclooctacosa-17,19,21,23,25-pentaén-2-one [French] [ACD/IUPAC Name]
Oxacyclooctacosa-17,19,21,23,25-pentaen-2-one, 3-butyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyl-, (4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 872.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.0±6.0 kJ/mol
Flash Point: 270.6±27.8 °C
Index of Refraction: 1.529
Molar Refractivity: 165.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -0.11
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.21
ACD/KOC (pH 5.5): 97.42
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.21
ACD/KOC (pH 7.4): 97.42
Polar Surface Area: 188 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 535.2±3.0 cm3

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