ChemSpider 2D Image | (3E,3aS,5aR,7R,9aR,9bS)-3-[(3E,5E)-6,10-Dimethyl-7-(alpha-L-ribopyranosyloxy)-3,5,9-undecatrien-2-ylidene]-3a,6,6,9a-tetramethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalen-7-yl acetate | C37H56O8

(3E,3aS,5aR,7R,9aR,9bS)-3-[(3E,5E)-6,10-Dimethyl-7-(α-L-ribopyranosyloxy)-3,5,9-undecatrien-2-ylidene]-3a,6,6,9a-tetramethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalen-7-yl acetate

  • Molecular FormulaC37H56O8
  • Average mass628.836 Da
  • Monoisotopic mass628.397522 Da
  • ChemSpider ID9846519
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres


More details:






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

(3E,3aS,5aR,7R,9aR,9bS)-3-[(3E,5E)-6,10-Dimethyl-7-(α-L-ribopyranosyloxy)-3,5,9-undecatrien-2-yliden]-3a,6,6,9a-tetramethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalin-7-yl-acetat [German] [ACD/IUPAC Name]
(3E,3aS,5aR,7R,9aR,9bS)-3-[(3E,5E)-6,10-Dimethyl-7-(α-L-ribopyranosyloxy)-3,5,9-undecatrien-2-ylidene]-3a,6,6,9a-tetramethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalen-7-yl acetate [ACD/IUPAC Name]
2H-Benz[e]inden-2-one, 7-(acetyloxy)dodecahydro-3a,6,6,9a-tetramethyl-3-[(2E,4E)-1,5,9-trimethyl-6-(α-L-ribopyranosyloxy)-2,4,8-decatrien-1-ylidene]-, (3E,3aS,5aR,7R,9aR,9bS)- [ACD/Index Name]
Acétate de (3E,3aS,5aR,7R,9aR,9bS)-3-[(3E,5E)-6,10-diméthyl-7-(α-L-ribopyranosyloxy)-3,5,9-undécatrién-2-ylidène]-3a,6,6,9a-tétraméthyl-2-oxododécahydro-1H-cyclopenta[a]naphtalén-7-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 730.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.7±6.0 kJ/mol
Flash Point: 218.4±26.4 °C
Index of Refraction: 1.559
Molar Refractivity: 173.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.81
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 67776.93
ACD/KOC (pH 5.5): 99923.83
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 67776.55
ACD/KOC (pH 7.4): 99923.28
Polar Surface Area: 123 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 538.7±5.0 cm3

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