ChemSpider 2D Image | (3R,4aS,5S,6S,6aR,10aS)-6-Hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate | C22H34O5

(3R,4aS,5S,6S,6aR,10aS)-6-Hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate

  • Molecular FormulaC22H34O5
  • Average mass378.502 Da
  • Monoisotopic mass378.240631 Da
  • ChemSpider ID78430785

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3R,4aS,5S,6S,6aR,10aS)-6-Hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate [ACD/IUPAC Name]
(3R,4aS,5S,6S,6aR,10aS)-6-Hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl-acetat [German] [ACD/IUPAC Name]
1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6-hydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aS,5S,6S,6aR,10aS)- [ACD/Index Name]
Acétate de (3R,4aS,5S,6S,6aR,10aS)-6-hydroxy-3,4a,7,7,10a-pentaméthyl-1-oxo-3-vinyldodécahydro-1H-benzo[f]chromén-5-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 455.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±6.0 kJ/mol
Flash Point: 146.9±22.2 °C
Index of Refraction: 1.523
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 601.13
ACD/KOC (pH 5.5): 3394.61
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 601.13
ACD/KOC (pH 7.4): 3394.61
Polar Surface Area: 73 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 336.3±5.0 cm3

Click to predict properties on the Chemicalize site


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