ChemSpider 2D Image | (24E)-1,2,7,20,26-Pentahydroxy-9,10,14-trimethyl-16,23-epoxy-4,9-cyclo-9,10-secocholesta-5,24-dien-11-one | C30H46O7

(24E)-1,2,7,20,26-Pentahydroxy-9,10,14-trimethyl-16,23-epoxy-4,9-cyclo-9,10-secocholesta-5,24-dien-11-one

  • Molecular FormulaC30H46O7
  • Average mass518.682 Da
  • Monoisotopic mass518.324341 Da
  • ChemSpider ID24613591

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(24E)-1,2,7,20,26-Pentahydroxy-9,10,14-trimethyl-16,23-epoxy-4,9-cyclo-9,10-secocholesta-5,24-dien-11-on [German] [ACD/IUPAC Name]
(24E)-1,2,7,20,26-Pentahydroxy-9,10,14-trimethyl-16,23-epoxy-4,9-cyclo-9,10-secocholesta-5,24-dien-11-one [ACD/IUPAC Name]
(24E)-1,2,7,20,26-Pentahydroxy-9,10,14-triméthyl-16,23-époxy-4,9-cyclo-9,10-sécocholesta-5,24-dién-11-one [French] [ACD/IUPAC Name]
Naphth[2',1':4,5]indeno[2,1-b]pyran-5(2H)-one, 1,3,4,4a,4b,6,6a,6b,7,8,9,10a,11,11a,11b,12-hexadecahydro-2,3,7,12-tetrahydroxy-9-[(1E)-3-hydroxy-2-methyl-1-propen-1-yl]-1,1,4b,6a,7,11a-hexamethyl- [ACD/Index 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: 675.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±6.0 kJ/mol
Flash Point: 215.4±25.0 °C
Index of Refraction: 1.600
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.41
ACD/KOC (pH 5.5): 332.50
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.41
ACD/KOC (pH 7.4): 332.50
Polar Surface Area: 127 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 407.8±5.0 cm3

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