ChemSpider 2D Image | (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10b-Dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-10-[(3-phenyl-1,2-oxazol-5-yl)methoxy]-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate | C32H41NO8

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10b-Dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-10-[(3-phenyl-1,2-oxazol-5-yl)methoxy]-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate

  • Molecular FormulaC32H41NO8
  • Average mass567.670 Da
  • Monoisotopic mass567.283203 Da
  • ChemSpider ID90655562

  • 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)-6,10b-Dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-10-[(3-phenyl-1,2-oxazol-5-yl)methoxy]-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate [ACD/IUPAC Name]
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10b-Dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-10-[(3-phenyl-1,2-oxazol-5-yl)methoxy]-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-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-10-[(3-phenyl-5-isoxazolyl)methoxy]-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)- [ACD/Index Name]
Acétate de (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10b-dihydroxy-3,4a,7,7,10a-pentaméthyl-1-oxo-10-[(3-phényl-1,2-oxazol-5-yl)méthoxy]-3-vinyldodécahydro-1H-benzo[f]chromén-5-yle [French] [ACD/IUPAC 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: 669.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.5±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3465.10
ACD/KOC (pH 5.5): 11893.83
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3464.02
ACD/KOC (pH 7.4): 11890.15
Polar Surface Area: 128 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 447.8±5.0 cm3

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