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-(2-pyridinyl)ethyl]carbamate | C28H40N2O7

(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-(2-pyridinyl)ethyl]carbamate

  • Molecular FormulaC28H40N2O7
  • Average mass516.626 Da
  • Monoisotopic mass516.283569 Da
  • ChemSpider ID8824901

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(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-(pyridin-2-yl)ethyl]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-(2-pyridinyl)ethyl]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-(2-pyridinyl)ethyl]carbamat [German] [ACD/IUPAC Name]
[2-(2-Pyridinyl)éthyl]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]
Carbamic acid, N-[2-(2-pyridinyl)ethyl]-, (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]
(2-Pyridin-2-yl-ethyl)-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: 1.3±0.1 g/cm3
Boiling Point: 679.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 364.9±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 157.47
ACD/KOC (pH 5.5): 1173.00
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 225.53
ACD/KOC (pH 7.4): 1679.99
Polar Surface Area: 138 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 406.2±5.0 cm3

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