ChemSpider 2D Image | (1S,4R,7S,9beta,23E)-1-Hydroxy-7,25-dimethoxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-9-carbaldehyde | C32H52O4

(1S,4R,7S,9β,23E)-1-Hydroxy-7,25-dimethoxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-9-carbaldehyde

  • Molecular FormulaC32H52O4
  • Average mass500.753 Da
  • Monoisotopic mass500.386566 Da
  • ChemSpider ID9469993

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4R,7S,9β,23E)-1-Hydroxy-7,25-dimethoxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23-dien-9-carbaldehyd [German] [ACD/IUPAC Name]
(1S,4R,7S,9β,23E)-1-Hydroxy-7,25-dimethoxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-9-carbaldehyde [ACD/IUPAC Name]
(1S,4R,7S,9β,23E)-1-Hydroxy-7,25-diméthoxy-10,14-diméthyl-4,9-cyclo-9,10-sécocholesta-5,23-diène-9-carbaldéhyde [French] [ACD/IUPAC Name]
Estr-5-ene-9-carboxaldehyde, 3-hydroxy-7-methoxy-17-[(1R,3E)-5-methoxy-1,5-dimethyl-3-hexen-1-yl]-4,4,14-trimethyl-, (3β,7β,9β,10α,17β)- [ACD/Index Name]
(23E)-3β-hydroxy-7β,25-dimethoxycucurbita-5,23-dien-19-al
(23E)-3β-Hydroxy-7β,25-dimethoxycucurbita-5,23-diene-19-al
(3S,7S,8S,9R,10R,13R,14S,17R)-3-hydroxy-7-methoxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
3??-Hydroxy-7??,25-dimethoxycucurbita-5,23-dien-19-al
85372-69-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 567.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 169.8±23.6 °C
Index of Refraction: 1.531
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 57096.93
ACD/KOC (pH 5.5): 88382.21
ACD/LogD (pH 7.4): 6.56
ACD/BCF (pH 7.4): 57096.93
ACD/KOC (pH 7.4): 88382.21
Polar Surface Area: 56 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 474.9±5.0 cm3

Click to predict properties on the Chemicalize site


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