ChemSpider 2D Image | [(4aR,6aR,6bR,8aR,10S,12aR,12bR,14aS)-10-Acetoxy-1-isopropyl-6a,6b,9,9,12a-pentamethyl-2,4-dioxo-5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-hexadecahydro-2H-phenanthro[2,1-f]isochromen-4a(4H)-yl]me thyl acetate | C34H50O7

[(4aR,6aR,6bR,8aR,10S,12aR,12bR,14aS)-10-Acetoxy-1-isopropyl-6a,6b,9,9,12a-pentamethyl-2,4-dioxo-5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-hexadecahydro-2H-phenanthro[2,1-f]isochromen-4a(4H)-yl]me thyl acetate

  • Molecular FormulaC34H50O7
  • Average mass570.757 Da
  • Monoisotopic mass570.355652 Da
  • ChemSpider ID9517061

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4aR,6aR,6bR,8aR,10S,12aR,12bR,14aS)-4a-[(acetyloxy)methyl]-6a,6b,9,9,12a-pentamethyl-2,4-dioxo-1-(propan-2-yl)-4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-octadecahydro-2H-phenanthro[2,1-f]isochromen-10-yl acetate
[(4aR,6aR,6bR,8aR,10S,12aR,12bR,14aS)-10-Acetoxy-1-isopropyl-6a,6b,9,9,12a-pentamethyl-2,4-dioxo-5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-hexadecahydro-2H-phenanthro[2,1-f]isochromen-4a(4H)-yl]me thyl acetate [ACD/IUPAC Name]
[(4aR,6aR,6bR,8aR,10S,12aR,12bR,14aS)-10-Acetoxy-1-isopropyl-6a,6b,9,9,12a-pentamethyl-2,4-dioxo-5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-hexadecahydro-2H-phenanthro[2,1-f]isochromen-4a(4H)-yl]me thyl-acetat [German] [ACD/IUPAC Name]
2H-Chryseno[2,1-c]pyran-2,4(4aH)-dione, 10-(acetyloxy)-4a-[(acetyloxy)methyl]-5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-hexadecahydro-6a,6b,9,9,12a-pentamethyl-1-(1-methylethyl)-, (4aR,6aR,6bR,8aR ,10S,12aR,12bR,14aS)- [ACD/Index Name]
2H-chryseno[2,1-c]pyran-2,4(4aH)-dione, 10-(acetyloxy)-4a-[(acetyloxy)methyl]-5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-hexadecahydro-6a,6b,9,9,12a-pentamethyl-1-(1-methylethyl)-, (4aR,6aR,6bR,8aR,10S,12aR,12bR,14aS)-
Acétate de [(4aR,6aR,6bR,8aR,10S,12aR,12bR,14aS)-10-acétoxy-1-isopropyl-6a,6b,9,9,12a-pentaméthyl-2,4-dioxo-5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-hexadécahydro-2H-phénanthro[2,1-f]isochromén-4 a(4H)-yl]méthyle [French] [ACD/IUPAC Name]
Acetic acid (2R,6aR,6bR,8aR,10S,12aR,12bR,14aS)-4a-acetoxymethyl-1-isopropyl-6a,6b,9,9,12a-pentamethyl-2,4-dioxo-4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-octadecahydro-2H-3-oxa-picen-10-yl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 615.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 253.2±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.46
ACD/LogD (pH 5.5): 7.94
ACD/BCF (pH 5.5): 636890.50
ACD/KOC (pH 5.5): 496729.84
ACD/LogD (pH 7.4): 7.94
ACD/BCF (pH 7.4): 636890.50
ACD/KOC (pH 7.4): 496729.84
Polar Surface Area: 96 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 493.0±5.0 cm3

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