ChemSpider 2D Image | (1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4,8,9-Triacetoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0~1,12~.0~5,7~]hexadec-10-en-13-yl (1S,2R)-1,2-dimethylcyclopropanecarboxylate | C32H44O10

(1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4,8,9-Triacetoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-13-yl (1S,2R)-1,2-dimethylcyclopropanecarboxylate

  • Molecular FormulaC32H44O10
  • Average mass588.686 Da
  • Monoisotopic mass588.293457 Da
  • ChemSpider ID34249412

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4,8,9-Triacetoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-13-yl (1S,2R)-1,2-dimethylcyclopropanecarboxylate [ACD/IUPAC Name]
(1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4,8,9-Triacetoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-13-yl-(1S,2R)-1,2-dimethylcyclopropancarboxylat [German] [ACD/IUPAC Name]
(1S,2R)-1,2-Diméthylcyclopropanecarboxylate de (1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4,8,9-triacétoxy-3,6,6,10,14-pentaméthyl-2-oxo-16-oxatétracyclo[10.3.1.01,12.05,7]hexadéc-10-én-13-yle [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 1,2-dimethyl-, (1aR,2R,3R,4aR,6S,7S,7aS,8E,10R,11R,11aS)-2,10,11-tris(acetyloxy)-1,1a,2,3,4,6,7,10,11,11a-decahydro-1,1,3,6,9-pentamethyl-4-oxo-4a,7a-epoxy-5H-cyclopenta[a ]cyclopropa[f]cycloundecen-7-yl ester, (1S,2R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 625.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 258.8±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 148.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4383.46
ACD/KOC (pH 5.5): 14073.63
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4383.46
ACD/KOC (pH 7.4): 14073.63
Polar Surface Area: 135 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 471.6±5.0 cm3

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