ChemSpider 2D Image | aspermeroterpene B | C28H32O10

aspermeroterpene B

  • Molecular FormulaC28H32O10
  • Average mass528.548 Da
  • Monoisotopic mass528.199524 Da
  • ChemSpider ID81369077

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3R,4aR,4bS,10aS,10bS,11S,12aR)-11-Acétoxy-6-hydroxy-3,4b,7,7,10a,12a-hexaméthyl-12-méthylène-1,4,5,8-tétraoxo-1,3,4,4b,5,7,8,10a,10b,11,12,12a-dodécahydro-4aH-naphto[2,1-f]isochromène-4a-carboxylate de méthyle [French] [ACD/IUPAC Name]
4aH-Phenanthro[2,1-c]pyran-4a-carboxylic acid, 11-(acetyloxy)-1,3,4,4b,5,7,8,10a,10b,11,12,12a-dodecahydro-6-hydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-, methyl ester, (3R,4aR,4 bS,10aS,10bS,11S,12aR)- [ACD/Index Name]
aspermeroterpene B
Methyl (3R,4aR,4bS,10aS,10bS,11S,12aR)-11-acetoxy-6-hydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-1,3,4,4b,5,7,8,10a,10b,11,12,12a-dodecahydro-4aH-naphtho[2,1-f]isochromene-4a-carb oxylate [ACD/IUPAC Name]
Methyl-(3R,4aR,4bS,10aS,10bS,11S,12aR)-11-acetoxy-6-hydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylen-1,4,5,8-tetraoxo-1,3,4,4b,5,7,8,10a,10b,11,12,12a-dodecahydro-4aH-naphtho[2,1-f]isochromen-4a-carbox ylat [German] [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: 687.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.2±6.0 kJ/mol
Flash Point: 224.7±25.0 °C
Index of Refraction: 1.574
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 193.84
ACD/KOC (pH 5.5): 1508.39
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 150.96
ACD/KOC (pH 7.4): 1174.70
Polar Surface Area: 150 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 393.4±5.0 cm3

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