ChemSpider 2D Image | Karavilagenin E | C30H48O3

Karavilagenin E

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID24654295

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(2R,4R)-4-Hydroxy-6-methyl-5-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol [German] [ACD/IUPAC Name]
(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(2R,4R)-4-Hydroxy-6-methyl-5-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol [ACD/IUPAC Name]
(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(2R,4R)-4-Hydroxy-6-méthyl-5-heptén-2-yl]-5,9,17,17-tétraméthyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadéc-2-én-16-ol [French] [ACD/IUPAC Name]
(3S,5R,8S,9S,10S,13R,14S,17R)-17-((2R)-4-hydroxy-6-methylhept-5-en-2-yl)-4,4,13,14-tetramethyl-2,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-1H-5,9-(epoxymethano)cyclopenta[a]phenanthren-3-ol
5,9-(Epoxymethano)-2H-cyclopenta[a]phenanthrene-17-propanol, 1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-3-hydroxy-γ,4,4,13,14-pentamethyl-α-(2-methyl-1-propen-1-yl)-, (αR,γR,3S,5R,8S, 
9S,10S,13R,14S,17R)- [ACD/Index Name]
Karavilagenin E [Wiki]
877603-72-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 562.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.1±6.0 kJ/mol
Flash Point: 293.8±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 56416.14
ACD/KOC (pH 5.5): 87626.61
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 56416.14
ACD/KOC (pH 7.4): 87626.61
Polar Surface Area: 50 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 418.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement