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Search term: 98309160 (Found by CSID)
ChemSpider 2D Image | fusaindoterpene A | C28H37NO4

fusaindoterpene A

  • Molecular FormulaC28H37NO4
  • Average mass451.598 Da
  • Monoisotopic mass451.272247 Da
  • ChemSpider ID98309160

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3aS,3bS,5aS,14aS,14bS,16aS)-3a,14a,14b-Trimethyl-2-(2-methyl-1-propen-1-yl)-2,3,3a,4,5,5a,6,14a,14b,15,16,16a-dodecahydrofuro[3',2':5,6]naphtho[1,2-d][3,1]benzoxazonin-7,13(3bH,12H)-dion [German] [ACD/IUPAC Name]
(2R,3aS,3bS,5aS,14aS,14bS,16aS)-3a,14a,14b-Trimethyl-2-(2-methyl-1-propen-1-yl)-2,3,3a,4,5,5a,6,14a,14b,15,16,16a-dodecahydrofuro[3',2':5,6]naphtho[1,2-d][3,1]benzoxazonine-7,13(3bH,12H)-dione [ACD/IUPAC Name]
(2R,3aS,3bS,5aS,14aS,14bS,16aS)-3a,14a,14b-Triméthyl-2-(2-méthyl-1-propén-1-yl)-2,3,3a,4,5,5a,6,14a,14b,15,16,16a-dodécahydrofuro[3',2':5,6]naphto[1,2-d][3,1]benzoxazonine-7,13(3bH,12H)-dione [French] [ACD/IUPAC Name]
Furo[3',2':5,6]naphtho[1,2-d][3,1]benzoxazonine-7,13(3bH,12H)-dione, 2,3,3a,4,5,5a,6,14a,14b,15,16,16a-dodecahydro-3a,14a,14b-trimethyl-2-(2-methyl-1-propen-1-yl)-, (2R,3aS,3bS,5aS,14aS,14bS,16aS)- [ACD/Index Name]
fusaindoterpene A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 526.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.3±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 6.25
ACD/BCF (pH 5.5): 33328.71
ACD/KOC (pH 5.5): 60119.79
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 33328.64
ACD/KOC (pH 7.4): 60119.66
Polar Surface Area: 65 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 395.2±3.0 cm3

Click to predict properties on the Chemicalize site


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