ChemSpider 2D Image | (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl (2-phenylethyl)carbamate | C29H41NO7

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl (2-phenylethyl)carbamate

  • Molecular FormulaC29H41NO7
  • Average mass515.638 Da
  • Monoisotopic mass515.288330 Da
  • ChemSpider ID8943483

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2-Phényléthyl)carbamate de (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5,10,10b-trihydroxy-3,4a,7,7,10a-pentaméthyl-1-oxo-3-vinyldodécahydro-1H-benzo[f]chromén-6-yle [French] [ACD/IUPAC Name]
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-6-yl (2-phenylethyl)carbamate
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl (2-phenylethyl)carbamate [ACD/IUPAC Name]
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl-(2-phenylethyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(2-phenylethyl)-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyldodecahydro-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester [ACD/Index Name]
Phenethyl-carbamic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-dodecahydro-benzo[f]chromen-6-yl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 672.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.7±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2105.05
ACD/KOC (pH 5.5): 8325.07
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2104.39
ACD/KOC (pH 7.4): 8322.43
Polar Surface Area: 125 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 413.3±5.0 cm3

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