ChemSpider 2D Image | (4R,5bR,11aS,11bR,13R,13aS)-5b,8,8,11a,13a-Pentamethyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-4,13-diol | C25H38O3

(4R,5bR,11aS,11bR,13R,13aS)-5b,8,8,11a,13a-Pentamethyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-4,13-diol

  • Molecular FormulaC25H38O3
  • Average mass386.567 Da
  • Monoisotopic mass386.282104 Da
  • ChemSpider ID28288627

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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(4R,5bR,11aS,11bR,13R,13aS)-5b,8,8,11a,13a-Pentamethyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-4,13-diol [German] [ACD/IUPAC Name]
(4R,5bR,11aS,11bR,13R,13aS)-5b,8,8,11a,13a-Pentamethyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-4,13-diol [ACD/IUPAC Name]
(4R,5bR,11aS,11bR,13R,13aS)-5b,8,8,11a,13a-Pentaméthyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadécahydrochryséno[1,2-c]furane-4,13-diol [French] [ACD/IUPAC Name]
Chryseno[1,2-c]furan-4,13-diol, 4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydro-5b,8,8,11a,13a-pentamethyl-, (4R,5bR,11aS,11bR,13R,13aS)- [ACD/Index Name]
sesterstatin 4

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

Density: 1.1±0.1 g/cm3
Boiling Point: 437.9±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 218.6±25.7 °C
Index of Refraction: 1.545
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20658.73
ACD/KOC (pH 5.5): 42691.09
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20658.73
ACD/KOC (pH 7.4): 42691.09
Polar Surface Area: 54 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 351.6±3.0 cm3

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