ChemSpider 2D Image | (1S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bS)-13-Hydroxy-5b,8,8,11a,13a-pentamethyl-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1-yl acetate | C27H42O4

(1S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bS)-13-Hydroxy-5b,8,8,11a,13a-pentamethyl-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1-yl acetate

  • Molecular FormulaC27H42O4
  • Average mass430.620 Da
  • Monoisotopic mass430.308319 Da
  • ChemSpider ID40256920

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bS)-13-Hydroxy-5b,8,8,11a,13a-pentamethyl-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1-yl acetate [ACD/IUPAC Name]
(1S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bS)-13-Hydroxy-5b,8,8,11a,13a-pentamethyl-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bS)-13-hydroxy-5b,8,8,11a,13a-pentaméthyl-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadécahydrochryséno[1,2-c]furan-1-yle [French] [ACD/IUPAC Name]
Chryseno[1,2-c]furan-1,13-diol, 1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-5b,8,8,11a,13a-pentamethyl-, 1-acetate, (1S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 512.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.2±6.0 kJ/mol
Flash Point: 161.5±23.6 °C
Index of Refraction: 1.550
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37507.79
ACD/KOC (pH 5.5): 65424.38
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37507.79
ACD/KOC (pH 7.4): 65424.38
Polar Surface Area: 56 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 381.7±5.0 cm3

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