Found 12 results

Search term: MF = 'C_{42}H_{54}O_{10}'
ChemSpider 2D Image | (1S,4aS,5R,8aS)-5-[(2E)-3-{(2S)-8-[(5-Acetyl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-6-butyryl-5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl}-2-buten-1-yl]-1,4a-dimethyl-6-methylen edecahydro-1-naphthalenecarboxylic acid | C42H54O10

(1S,4aS,5R,8aS)-5-[(2E)-3-{(2S)-8-[(5-Acetyl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-6-butyryl-5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl}-2-buten-1-yl]-1,4a-dimethyl-6-methylen edecahydro-1-naphthalenecarboxylic acid

  • Molecular FormulaC42H54O10
  • Average mass718.872 Da
  • Monoisotopic mass718.371704 Da
  • ChemSpider ID76795109

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,4aS,5R,8aS)-5-[(2E)-3-{(2S)-8-[(5-Acetyl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-6-butyryl-5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl}-2-buten-1-yl]-1,4a-dimethyl-6-methylen decahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
(1S,4aS,5R,8aS)-5-[(2E)-3-{(2S)-8-[(5-Acetyl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-6-butyryl-5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl}-2-buten-1-yl]-1,4a-dimethyl-6-methylen edecahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 5-[(2E)-3-[(2S)-8-[(5-acetyl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-3,4-dihydro-5,7-dihydroxy-6-(1-oxobutyl)-2H-1-benzopyran-2-yl]-2-buten-1-yl]d ecahydro-1,4a-dimethyl-6-methylene-, (1S,4aS,5R,8aS)- [ACD/Index Name]
Acide (1S,4aS,5R,8aS)-5-[(2E)-3-{(2S)-8-[(5-acétyl-2,4-dihydroxy-3,3-diméthyl-6-oxo-1,4-cyclohexadién-1-yl)méthyl]-6-butyryl-5,7-dihydroxy-3,4-dihydro-2H-chromén-2-yl}-2-butén-1-yl]-1,4a-diméthyl-6-mé thylènedécahydro-1-naphtalènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 872.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.9±3.0 kJ/mol
Flash Point: 261.0±27.8 °C
Index of Refraction: 1.616
Molar Refractivity: 193.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 10.88
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 22223.83
ACD/KOC (pH 5.5): 9790.08
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 37.42
ACD/KOC (pH 7.4): 16.48
Polar Surface Area: 179 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 552.8±5.0 cm3

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