ChemSpider 2D Image | aspermeroterpene A | C28H32O10

aspermeroterpene A

  • Molecular FormulaC28H32O10
  • Average mass528.548 Da
  • Monoisotopic mass528.199524 Da
  • ChemSpider ID81369076

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4aR,5aS,8aR,8bS,8cS,9S,10aR,10bR,10cS)-9-Acétoxy-4a-hydroxy-3,6,6,8b,10a,10c-hexaméthyl-10-méthylène-1,5,7-trioxo-1,4a,6,7,8,8a,8b,8c,9,10,10a,10c-dodécahydrocyclopenta[2',3']cyclopropa[1',2':5,6][1] benzofuro[2,3,4-def]isochromène-10b(5H)-carboxylate de méthyle [French] [ACD/IUPAC Name]
aspermeroterpene A
Cyclopenta[2',3']cyclopropa[1',2':5,6]benzofuro[2,3,4-def]-2-benzopyran-10b(5H)-carboxylic acid, 9-(acetyloxy)-1,4a,6,7,8,8a,8b,8c,9,10,10a,10c-dodecahydro-4a-hydroxy-3,6,6,8b,10a,10c-hexamethyl-10-me thylene-1,5,7-trioxo-, methyl ester, (4aR,5aS,8aR,8bS,8cS,9S,10aR,10bR,10cS)- [ACD/Index Name]
Methyl (4aR,5aS,8aR,8bS,8cS,9S,10aR,10bR,10cS)-9-acetoxy-4a-hydroxy-3,6,6,8b,10a,10c-hexamethyl-10-methylene-1,5,7-trioxo-1,4a,6,7,8,8a,8b,8c,9,10,10a,10c-dodecahydrocyclopenta[2',3']cyclopropa[1',2': 5,6][1]benzofuro[2,3,4-def]isochromene-10b(5H)-carboxylate [ACD/IUPAC Name]
Methyl-(4aR,5aS,8aR,8bS,8cS,9S,10aR,10bR,10cS)-9-acetoxy-4a-hydroxy-3,6,6,8b,10a,10c-hexamethyl-10-methylen-1,5,7-trioxo-1,4a,6,7,8,8a,8b,8c,9,10,10a,10c-dodecahydrocyclopenta[2',3']cyclopropa[1',2':5 ,6][1]benzofuro[2,3,4-def]isochromen-10b(5H)-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 662.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±6.0 kJ/mol
Flash Point: 217.8±25.0 °C
Index of Refraction: 1.601
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 626.56
ACD/KOC (pH 5.5): 3496.45
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 610.01
ACD/KOC (pH 7.4): 3404.04
Polar Surface Area: 143 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 372.4±5.0 cm3

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