ChemSpider 2D Image | (1S,2aR,3S,4R,5aS,7aS,8aR,11aR,13aS,15aS,15bS)-7a-Hydroxy-3,13,13,15b-tetramethyl-4-[(2S)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-10-oxohexadecahydro-1H,10H-furo[3'',2'':1',7a']indeno[4',5':5,6]cyclohep ta[1,2-c]furo[3,2-b]furan-1-yl acetate | C31H42O9

(1S,2aR,3S,4R,5aS,7aS,8aR,11aR,13aS,15aS,15bS)-7a-Hydroxy-3,13,13,15b-tetramethyl-4-[(2S)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-10-oxohexadecahydro-1H,10H-furo[3'',2'':1',7a']indeno[4',5':5,6]cyclohep ta[1,2-c]furo[3,2-b]furan-1-yl acetate

  • Molecular FormulaC31H42O9
  • Average mass558.660 Da
  • Monoisotopic mass558.282898 Da
  • ChemSpider ID20558266

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1S,2aR,3S,4R,5aS,7aS,8aR,11aR,13aS,15aS,15bS)-7a-Hydroxy-3,13,13,15b-tetramethyl-4-[(2S)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-10-oxohexadecahydro-1H,10H-furo[3'',2'':1',7a']indeno[4',5':5,6]cyclohep ta[1,2-c]furo[3,2-b]furan-1-yl acetate [ACD/IUPAC Name]
(1S,2aR,3S,4R,5aS,7aS,8aR,11aR,13aS,15aS,15bS)-7a-Hydroxy-3,13,13,15b-tetramethyl-4-[(2S)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-10-oxohexadecahydro-1H,10H-furo[3'',2'':1',7a']indeno[4',5':5,6]cyclohep ta[1,2-c]furo[3,2-b]furan-1-yl-acetat [German] [ACD/IUPAC Name]
1H,10H-Furo[3'',2'':1',7'a]indeno[4',5':5,6]cyclohepta[1,2-c]furo[3,2-b]furan-10-one, 1-(acetyloxy)-4-[(2S)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]hexadecahydro-7a-hydroxy-3,13,13,15b-tetramethyl-, (1S, 2aR,3S,4R,5aS,7aS,8aR,11aR,13aS,15aS,15bS)- [ACD/Index Name]
Acétate de (1S,2aR,3S,4R,5aS,7aS,8aR,11aR,13aS,15aS,15bS)-7a-hydroxy-3,13,13,15b-tétraméthyl-4-[(2S)-4-méthyl-5-oxo-2,5-dihydro-2-furanyl]-10-oxohexadécahydro-1H,10H-furo[3'',2'':1',7a']indéno[4',5':5 ,6]cyclohepta[1,2-c]furo[3,2-b]furan-1-yle [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: 720.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.2±6.0 kJ/mol
Flash Point: 232.2±26.4 °C
Index of Refraction: 1.586
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 44.85
ACD/KOC (pH 5.5): 529.55
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 44.85
ACD/KOC (pH 7.4): 529.55
Polar Surface Area: 118 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 421.5±5.0 cm3

Click to predict properties on the Chemicalize site


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