ChemSpider 2D Image | (3S,3aR,5R,6R,7R,7aS,8R,9aR)-3,4a,8-Trimethyl-2-oxododecahydroazuleno[6,5-b]furan-5,6,7-triyl triacetate | C21H30O8

(3S,3aR,5R,6R,7R,7aS,8R,9aR)-3,4a,8-Trimethyl-2-oxododecahydroazuleno[6,5-b]furan-5,6,7-triyl triacetate

  • Molecular FormulaC21H30O8
  • Average mass410.458 Da
  • Monoisotopic mass410.194061 Da
  • ChemSpider ID58817874

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3S,3aR,5R,6R,7R,7aS,8R,9aR)-3,4a,8-Trimethyl-2-oxododecahydroazuleno[6,5-b]furan-5,6,7-triyl triacetate [ACD/IUPAC Name]
(3S,3aR,5R,6R,7R,7aS,8R,9aR)-3,4a,8-Trimethyl-2-oxododecahydroazuleno[6,5-b]furan-5,6,7-triyl-triacetat [German] [ACD/IUPAC Name]
Azuleno[6,5-b]furan-2(3H)-one, 5,6,7-tris(acetyloxy)decahydro-3,4a,8-trimethyl-, (3S,3aR,5R,6R,7R,7aS,8R,9aR)- [ACD/Index Name]
Triacétate de (3S,3aR,5R,6R,7R,7aS,8R,9aR)-3,4a,8-triméthyl-2-oxododécahydroazuléno[6,5-b]furane-5,6,7-triyle [French] [ACD/IUPAC Name]
(3S,3AR,4AS,5R,6R,7R,7AS,8R,9AR)-6,7-BIS(ACETYLOXY)-3,4A,8-TRIMETHYL-2-OXO-DECAHYDROAZULENO[6,5-B]FURAN-5-YL ACETATE
(3S,3AR,4AS,5R,6R,7R,7AS,8R,9AR)-6,7-BIS(ACETYLOXY)-3,4A,8-TRIMETHYL-2-OXO-DODECAHYDROAZULENO[6,5-B]FURAN-5-YL ACETATE
62121-29-3 [RN]
Hymenolane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 485.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 209.0±28.8 °C
Index of Refraction: 1.512
Molar Refractivity: 100.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.69
ACD/KOC (pH 5.5): 272.17
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.69
ACD/KOC (pH 7.4): 272.17
Polar Surface Area: 105 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 334.5±5.0 cm3

Click to predict properties on the Chemicalize site


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