ChemSpider 2D Image | (3R,4aS,5S,6S,6aR,10S,10aS,10bR)-5,6,10,10b-Tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromen-1-one | C20H32O6

(3R,4aS,5S,6S,6aR,10S,10aS,10bR)-5,6,10,10b-Tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromen-1-one

  • Molecular FormulaC20H32O6
  • Average mass368.465 Da
  • Monoisotopic mass368.219879 Da
  • ChemSpider ID62667270

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3R,4aS,5S,6S,6aR,10S,10aS,10bR)-5,6,10,10b-Tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromen-1-on [German] [ACD/IUPAC Name]
(3R,4aS,5S,6S,6aR,10S,10aS,10bR)-5,6,10,10b-Tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromen-1-one [ACD/IUPAC Name]
(3R,4aS,5S,6S,6aR,10S,10aS,10bR)-5,6,10,10b-Tétrahydroxy-3,4a,7,7,10a-pentaméthyl-3-vinyldodécahydro-1H-benzo[f]chromén-1-one [French] [ACD/IUPAC Name]
1H-Naphtho[2,1-b]pyran-1-one, 3-ethenyldodecahydro-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aS,5S,6S,6aR,10S,10aS,10bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 512.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.2±6.0 kJ/mol
Flash Point: 174.8±23.6 °C
Index of Refraction: 1.596
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.34
ACD/KOC (pH 5.5): 473.36
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.33
ACD/KOC (pH 7.4): 473.29
Polar Surface Area: 107 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 287.8±3.0 cm3

Click to predict properties on the Chemicalize site


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