ChemSpider 2D Image | (1S,4S,5aS,5bR,7aS,11aS,11bR,13aS,13bS)-5b,8,8,11a,13a-Pentamethyl-13-oxo-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1,4-diyl diacetate | C29H42O6

(1S,4S,5aS,5bR,7aS,11aS,11bR,13aS,13bS)-5b,8,8,11a,13a-Pentamethyl-13-oxo-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1,4-diyl diacetate

  • Molecular FormulaC29H42O6
  • Average mass486.640 Da
  • Monoisotopic mass486.298126 Da
  • ChemSpider ID24673150

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4S,5aS,5bR,7aS,11aS,11bR,13aS,13bS)-5b,8,8,11a,13a-Pentamethyl-13-oxo-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1,4-diyl diacetate [ACD/IUPAC Name]
(1S,4S,5aS,5bR,7aS,11aS,11bR,13aS,13bS)-5b,8,8,11a,13a-Pentamethyl-13-oxo-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1,4-diyl-diacetat [German] [ACD/IUPAC Name]
Chryseno[1,2-c]furan-13(1H)-one, 1,4-bis(acetyloxy)-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13a,13b-hexadecahydro-5b,8,8,11a,13a-pentamethyl-, (1S,4S,5aS,5bR,7aS,11aS,11bR,13aS,13bS)- [ACD/Index Name]
Diacétate de (1S,4S,5aS,5bR,7aS,11aS,11bR,13aS,13bS)-5b,8,8,11a,13a-pentaméthyl-13-oxo-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadécahydrochryséno[1,2-c]furane-1,4-diyle [French] [ACD/IUPAC 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: 556.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 234.1±30.2 °C
Index of Refraction: 1.543
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 20334.91
ACD/KOC (pH 5.5): 42211.06
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 20334.91
ACD/KOC (pH 7.4): 42211.06
Polar Surface Area: 79 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 416.2±5.0 cm3

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