ChemSpider 2D Image | (1S,4S,7S,9beta,23R)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,23-diyl dipropanoate | C37H60O5

(1S,4S,7S,9β,23R)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,23-diyl dipropanoate

  • Molecular FormulaC37H60O5
  • Average mass584.869 Da
  • Monoisotopic mass584.444092 Da
  • ChemSpider ID24659281

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,4S,7S,9β,23R)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1,23-diyl-dipropanoat [German] [ACD/IUPAC Name]
(1S,4S,7S,9β,23R)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,23-diyl dipropanoate [ACD/IUPAC Name]
Dipropanoate de (1S,4S,7S,9β,23R)-7-méthoxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-5,24-diène-1,23-diyle [French] [ACD/IUPAC Name]
Estr-5-en-3-ol, 17-[(1R,3R)-1,5-dimethyl-3-(1-oxopropoxy)-4-hexen-1-yl]-7-methoxy-4,4,9,14-tetramethyl-, propanoate, (3β,7β,9β,10α,17β)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 605.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 244.7±30.2 °C
Index of Refraction: 1.518
Molar Refractivity: 169.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.58
ACD/LogD (pH 5.5): 9.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6379514.50
ACD/LogD (pH 7.4): 9.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6379514.50
Polar Surface Area: 62 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 39.4±5.0 dyne/cm
Molar Volume: 560.5±5.0 cm3

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