ChemSpider 2D Image | Nomilin | C28H34O9

Nomilin

  • Molecular FormulaC28H34O9
  • Average mass514.564 Da
  • Monoisotopic mass514.220276 Da
  • ChemSpider ID65266
  • defined stereocentres - 9 of 9 defined stereocentres


More details:



Featured data source



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

(5S,5aR,5bR,7aS,8R,10aS,11aR,11bR,13aR)-8-(furan-3-yl)-1,1,5a,7a,11b-pentamethyl-3,10,12-trioxohexadecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-5-yl acetate
(5S,5aR,5bR,7aS,8S,10aS,11aR,11bR,13aR)-8-(3-Furyl)-1,1,5a,7a,11b-pentamethyl-3,10,12-trioxohexadecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-5-yl acetate [ACD/IUPAC Name]
(5S,5aR,5bR,7aS,8S,10aS,11aR,11bR,13aR)-8-(3-Furyl)-1,1,5a,7a,11b-pentamethyl-3,10,12-trioxohexadecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-5-yl-acetat [German] [ACD/IUPAC Name]
1-(3-Furyl)decahydro-11-hydroxy-4b,7,7,11a,13a-pentamethyloxireno(4,4a)-2-benzopyrano[6,5-g](2)benzoxepin-3,5,9(3aH,4bH,6H)-trione Acetate
1-(Acetyloxy)-1,2-dihydroobacunoic Acid e-Lactone
1063-77-0 [RN]
Acétate de (5S,5aR,5bR,7aS,8S,10aS,11aR,11bR,13aR)-8-(3-furyl)-1,1,5a,7a,11b-pentaméthyl-3,10,12-trioxohexadécahydrooxiréno[4,4a]isochroméno[6,5-g][2]benzoxépin-5-yle [French] [ACD/IUPAC Name]
DRM0753K4T
Nomilin
Oxireno[4',5']pyrano[4',3':5,6]naphth[2,1-c]oxepin-3,10,12(1H,4H,10aH)-trione, 5-(acetyloxy)-8-(3-furanyl)decahydro-1,1,5a,7a,11b-pentamethyl-, (5S,5aR,5bR,7aS,8S,10aS,11aR,11bR,13aR)- [ACD/Index Name]
More...

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

AI3-37935 [DBID]
AIDS002684 [DBID]
AIDS-002684 [DBID]
C08773 [DBID]
NSC 297134 [DBID]
NSC297134 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 657.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.6±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.01
ACD/KOC (pH 5.5): 667.81
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.01
ACD/KOC (pH 7.4): 667.81
Polar Surface Area: 122 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 386.0±5.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form