ChemSpider 2D Image | Caesalmin F | C27H38O9

Caesalmin F

  • Molecular FormulaC27H38O9
  • Average mass506.585 Da
  • Monoisotopic mass506.251587 Da
  • ChemSpider ID8273247

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,4aR,5S,6R,6aS,7S,11aS,11bS)-4a-Hydroxy-7-methoxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1,5,6-triyl triacetate [ACD/IUPAC Name]
(1S,4aR,5S,6R,6aS,7S,11aS,11bS)-4a-Hydroxy-7-methoxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1,5,6-triyl-triacetat [German] [ACD/IUPAC Name]
Caesalmin F
Phenanthro[3,2-b]furan-1,4a,5,6(2H)-tetrol, 1,3,4,5,6,6a,7,11,11a,11b-decahydro-7-methoxy-4,4,7,11b-tetramethyl-, 1,5,6-triacetate, (1S,4aR,5S,6R,6aS,7S,11aS,11bS)- [ACD/Index Name]
Triacétate de (1S,4aR,5S,6R,6aS,7S,11aS,11bS)-4a-hydroxy-7-méthoxy-4,4,7,11b-tétraméthyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodécahydrophénanthro[3,2-b]furane-1,5,6-triyle [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: 549.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 285.9±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 477.86
ACD/KOC (pH 5.5): 2880.38
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 477.86
ACD/KOC (pH 7.4): 2880.37
Polar Surface Area: 122 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 407.1±5.0 cm3

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