ChemSpider 2D Image | (4aS,5R,6S,7S,9E,11S,12aR,14R,15R,15aR,15bR)-15-Hydroxy-5-isobutoxy-8,8,11,14-tetramethyl-2,12-dioxo-3,4,5,6,7,8,11,12,14,15,15a,15b-dodecahydrocyclopenta[11,12]cyclododeca[1,2-b]pyran-4a,6,7,12a,14(2 H,13H)-pentayl pentaacetate | C36H52O15

(4aS,5R,6S,7S,9E,11S,12aR,14R,15R,15aR,15bR)-15-Hydroxy-5-isobutoxy-8,8,11,14-tetramethyl-2,12-dioxo-3,4,5,6,7,8,11,12,14,15,15a,15b-dodecahydrocyclopenta[11,12]cyclododeca[1,2-b]pyran-4a,6,7,12a,14(2 H,13H)-pentayl pentaacetate

  • Molecular FormulaC36H52O15
  • Average mass724.789 Da
  • Monoisotopic mass724.330627 Da
  • ChemSpider ID90664448

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(4aS,5R,6S,7S,9E,11S,12aR,14R,15R,15aR,15bR)-15-Hydroxy-5-isobutoxy-8,8,11,14-tetramethyl-2,12-dioxo-3,4,5,6,7,8,11,12,14,15,15a,15b-dodecahydrocyclopenta[11,12]cyclododeca[1,2-b]pyran-4a,6,7,12a,14(2 H,13H)-pentayl pentaacetate [ACD/IUPAC Name]
(4aS,5R,6S,7S,9E,11S,12aR,14R,15R,15aR,15bR)-15-Hydroxy-5-isobutoxy-8,8,11,14-tetramethyl-2,12-dioxo-3,4,5,6,7,8,11,12,14,15,15a,15b-dodecahydrocyclopenta[11,12]cyclododeca[1,2-b]pyran-4a,6,7,12a,14(2 H,13H)-pentayl-pentaacetat [German] [ACD/IUPAC Name]
Cyclopenta[11,12]cyclododeca[1,2-b]pyran-2,12-dione, 4a,6,7,12a,14-pentakis(acetyloxy)-3,4,4a,5,6,7,8,11,12a,13,14,15,15a,15b-tetradecahydro-15-hydroxy-8,8,11,14-tetramethyl-5-(2-methylpropoxy)-, (4aS ,5R,6S,7S,9E,11S,12aR,14R,15R,15aR,15bR)- [ACD/Index Name]
Pentaacétate de (4aS,5R,6S,7S,9E,11S,12aR,14R,15R,15aR,15bR)-15-hydroxy-5-isobutoxy-8,8,11,14-tétraméthyl-2,12-dioxo-3,4,5,6,7,8,11,12,14,15,15a,15b-dodécahydrocyclopenta[11,12]cyclododéca[1,2-b]pyran e-4a,6,7,12a,14(2H,13H)-pentayle [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: 732.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.0±6.0 kJ/mol
Flash Point: 214.3±26.4 °C
Index of Refraction: 1.527
Molar Refractivity: 176.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 432.24
ACD/KOC (pH 5.5): 2680.73
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 432.23
ACD/KOC (pH 7.4): 2680.72
Polar Surface Area: 204 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 575.2±5.0 cm3

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