ChemSpider 2D Image | (1S,2S,4S,6S,7S,11S,12S,15R,16R)-7,11,15-Trimethyl-16-[(2R)-6-methyl-5-hepten-2-yl]-3,20-dioxahexacyclo[10.6.2.0~1,15~.0~2,4~.0~2,12~.0~6,11~]icosane-8,19-dione | C29H42O4

(1S,2S,4S,6S,7S,11S,12S,15R,16R)-7,11,15-Trimethyl-16-[(2R)-6-methyl-5-hepten-2-yl]-3,20-dioxahexacyclo[10.6.2.01,15.02,4.02,12.06,11]icosane-8,19-dione

  • Molecular FormulaC29H42O4
  • Average mass454.641 Da
  • Monoisotopic mass454.308319 Da
  • ChemSpider ID32674556

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,2S,4S,6S,7S,11S,12S,15R,16R)-7,11,15-Trimethyl-16-[(2R)-6-methyl-5-hepten-2-yl]-3,20-dioxahexacyclo[10.6.2.01,15.02,4.02,12.06,11]icosan-8,19-dion [German] [ACD/IUPAC Name]
(1S,2S,4S,6S,7S,11S,12S,15R,16R)-7,11,15-Trimethyl-16-[(2R)-6-methyl-5-hepten-2-yl]-3,20-dioxahexacyclo[10.6.2.01,15.02,4.02,12.06,11]icosane-8,19-dione [ACD/IUPAC Name]
(1S,2S,4S,6S,7S,11S,12S,15R,16R)-7,11,15-Triméthyl-16-[(2R)-6-méthyl-5-heptén-2-yl]-3,20-dioxahexacyclo[10.6.2.01,15.02,4.02,12.06,11]icosane-8,19-dione [French] [ACD/IUPAC Name]
9b,3a-(Epoxymethano)cyclopenta[7,8]phenanthro[8a,9-b]oxirene-7,13(6H)-dione, 1-[(1R)-1,5-dimethyl-4-hexen-1-yl]dodecahydro-6,9a,11a-trimethyl-, (1R,3aS,3bS,4aS,5aS,6S,9aS,9bS,11aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 588.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 249.5±30.2 °C
Index of Refraction: 1.559
Molar Refractivity: 127.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 959.62
ACD/KOC (pH 5.5): 4744.45
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 959.62
ACD/KOC (pH 7.4): 4744.45
Polar Surface Area: 56 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 394.5±5.0 cm3

Click to predict properties on the Chemicalize site


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