ChemSpider 2D Image | (2S,6R,7R,8S,11R,12R,15S,16S,19R,21S)-4,4,7,11,24-Pentamethyl-12-[(2R)-6-methyl-2-heptanyl]-3,5-dioxahexacyclo[19.3.1.0~2,6~.0~7,19~.0~8,16~.0~11,15~]pentacos-1(24)-en-20-one | C36H58O3

(2S,6R,7R,8S,11R,12R,15S,16S,19R,21S)-4,4,7,11,24-Pentamethyl-12-[(2R)-6-methyl-2-heptanyl]-3,5-dioxahexacyclo[19.3.1.02,6.07,19.08,16.011,15]pentacos-1(24)-en-20-one

  • Molecular FormulaC36H58O3
  • Average mass538.844 Da
  • Monoisotopic mass538.438599 Da
  • ChemSpider ID9082890

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S,6R,7R,8S,11R,12R,15S,16S,19R,21S)-4,4,7,11,24-Pentamethyl-12-[(2R)-6-methyl-2-heptanyl]-3,5-dioxahexacyclo[19.3.1.02,6.07,19.08,16.011,15]pentacos-1(24)-en-20-on [German] [ACD/IUPAC Name]
(2S,6R,7R,8S,11R,12R,15S,16S,19R,21S)-4,4,7,11,24-Pentamethyl-12-[(2R)-6-methyl-2-heptanyl]-3,5-dioxahexacyclo[19.3.1.02,6.07,19.08,16.011,15]pentacos-1(24)-en-20-one [ACD/IUPAC Name]
(2S,6R,7R,8S,11R,12R,15S,16S,19R,21S)-4,4,7,11,24-Pentaméthyl-12-[(2R)-6-méthyl-2-heptanyl]-3,5-dioxahexacyclo[19.3.1.02,6.07,19.08,16.011,15]pentacos-1(24)-én-20-one [French] [ACD/IUPAC Name]
2,6-Methano-1H-cyclopenta[5',6']naphtho[1',2':3,4]cyclodeca[1,2-d][1,3]dioxol-1-one, 12-[(1R)-1,5-dimethylhexyl]-2,3,4,6a,9a,9b,9c,10,11,11a,12,13,14,14a,14b,15,16,16a-octadecahydro-5,8,8,9b,11a-penta methyl-, (2S,6aS,9aR,9bR,9cS,11aR,12R,14aS,14bS,16aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 599.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 309.5±16.5 °C
Index of Refraction: 1.534
Molar Refractivity: 159.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 11.49
ACD/LogD (pH 5.5): 10.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 36 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 40.2±5.0 dyne/cm
Molar Volume: 512.3±5.0 cm3

Click to predict properties on the Chemicalize site


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