ChemSpider 2D Image | (5S,5aR,5bR,6R,7R,7aR,8S,9aR,10aR,10bS,11R,12aR)-8-(3-Furyl)-6,7-dihydroxy-1,1,5a,7a,10b-pentamethyl-3-oxohexadecahydrooxireno[1',5']cyclopenta[1',2':5,6]naphtho[2,1-c]oxepine-5,11-diyl diacetate | C30H40O10

(5S,5aR,5bR,6R,7R,7aR,8S,9aR,10aR,10bS,11R,12aR)-8-(3-Furyl)-6,7-dihydroxy-1,1,5a,7a,10b-pentamethyl-3-oxohexadecahydrooxireno[1',5']cyclopenta[1',2':5,6]naphtho[2,1-c]oxepine-5,11-diyl diacetate

  • Molecular FormulaC30H40O10
  • Average mass560.633 Da
  • Monoisotopic mass560.262146 Da
  • ChemSpider ID30831765

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(5S,5aR,5bR,6R,7R,7aR,8S,9aR,10aR,10bS,11R,12aR)-8-(3-Furyl)-6,7-dihydroxy-1,1,5a,7a,10b-pentamethyl-3-oxohexadecahydrooxireno[1',5']cyclopenta[1',2':5,6]naphtho[2,1-c]oxepin-5,11-diyl-diacetat [German] [ACD/IUPAC Name]
(5S,5aR,5bR,6R,7R,7aR,8S,9aR,10aR,10bS,11R,12aR)-8-(3-Furyl)-6,7-dihydroxy-1,1,5a,7a,10b-pentamethyl-3-oxohexadecahydrooxireno[1',5']cyclopenta[1',2':5,6]naphtho[2,1-c]oxepine-5,11-diyl diacetate [ACD/IUPAC Name]
Diacétate de (5S,5aR,5bR,6R,7R,7aR,8S,9aR,10aR,10bS,11R,12aR)-8-(3-furyl)-6,7-dihydroxy-1,1,5a,7a,10b-pentaméthyl-3-oxohexadécahydrooxiréno[1',5']cyclopenta[1',2':5,6]naphto[2,1-c]oxépine-5,11-diyle [French] [ACD/IUPAC Name]
Oxireno[1',5']cyclopenta[1',2':5,6]naphth[2,1-c]oxepin-3(1H)-one, 5,11-bis(acetyloxy)-8-(3-furanyl)tetradecahydro-6,7-dihydroxy-1,1,5a,7a,10b-pentamethyl-, (5S,5aR,5bR,6R,7R,7aR,8S,9aR,10aR,10bS,11R,1 2aR)- [ACD/Index 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: 659.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 352.7±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 74.23
ACD/KOC (pH 5.5): 759.60
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 74.23
ACD/KOC (pH 7.4): 759.60
Polar Surface Area: 145 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 417.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement