ChemSpider 2D Image | (5S,5aR,5bR,6R,7R,7aR,8S,9aR,10aR,10bR,12aR)-8-(3-Furyl)-1,1,5a,7a,10b-pentamethyl-3,11-dioxohexadecahydrooxireno[1',5']cyclopenta[1',2':5,6]naphtho[2,1-c]oxepine-5,6,7-triyl triacetate | C32H40O11

(5S,5aR,5bR,6R,7R,7aR,8S,9aR,10aR,10bR,12aR)-8-(3-Furyl)-1,1,5a,7a,10b-pentamethyl-3,11-dioxohexadecahydrooxireno[1',5']cyclopenta[1',2':5,6]naphtho[2,1-c]oxepine-5,6,7-triyl triacetate

  • Molecular FormulaC32H40O11
  • Average mass600.653 Da
  • Monoisotopic mass600.257080 Da
  • ChemSpider ID59006356

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(5S,5aR,5bR,6R,7R,7aR,8S,9aR,10aR,10bR,12aR)-8-(3-Furyl)-1,1,5a,7a,10b-pentamethyl-3,11-dioxohexadecahydrooxireno[1',5']cyclopenta[1',2':5,6]naphtho[2,1-c]oxepin-5,6,7-triyl-triacetat [German] [ACD/IUPAC Name]
(5S,5aR,5bR,6R,7R,7aR,8S,9aR,10aR,10bR,12aR)-8-(3-Furyl)-1,1,5a,7a,10b-pentamethyl-3,11-dioxohexadecahydrooxireno[1',5']cyclopenta[1',2':5,6]naphtho[2,1-c]oxepine-5,6,7-triyl triacetate [ACD/IUPAC Name]
Oxireno[1',5']cyclopenta[1',2':5,6]naphth[2,1-c]oxepin-3,11(1H,4H)-dione, 5,6,7-tris(acetyloxy)-8-(3-furanyl)dodecahydro-1,1,5a,7a,10b-pentamethyl-, (5S,5aR,5bR,6R,7R,7aR,8S,9aR,10aR,10bR,12aR)- [ACD/Index Name]
Triacétate de (5S,5aR,5bR,6R,7R,7aR,8S,9aR,10aR,10bR,12aR)-8-(3-furyl)-1,1,5a,7a,10b-pentaméthyl-3,11-dioxohexadécahydrooxiréno[1',5']cyclopenta[1',2':5,6]naphto[2,1-c]oxépine-5,6,7-triyle [French] [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: 672.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.7±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 147.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 255.18
ACD/KOC (pH 5.5): 1838.37
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 255.18
ACD/KOC (pH 7.4): 1838.37
Polar Surface Area: 148 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 454.1±5.0 cm3

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