ChemSpider 2D Image | (23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione | C30H42O7

(23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione

  • Molecular FormulaC30H42O7
  • Average mass514.650 Da
  • Monoisotopic mass514.293030 Da
  • ChemSpider ID4510127

  • Double-bond stereo - Double-bond stereo

More details:

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

(23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-trien-1,11,22-trion [German] [ACD/IUPAC Name]
(23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione [ACD/IUPAC Name]
(23E)-2,16,20,25-Tétrahydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-2,5,23-triène-1,11,22-trione [French] [ACD/IUPAC Name]
Estra-1,5-diene-3,11-dione, 17-[(3E)-1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2,16-dihydroxy-4,4,9,14-tetramethyl- [ACD/Index Name]
(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
1, 2-Dehydroelatericin A
1,2-Dehydroelatericin A
19-nor-9β,10α-Lanosta-1,5, 23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-
19-nor-9β,10α-Lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-
19-Norlanosta-1,5,23-triene-3, 11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9β, 10α,16α)-
More...

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

2222-7-3 [DBID]
NSC112167 [DBID]
NSC521777 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 698.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.9±6.0 kJ/mol
Flash Point: 390.1±28.0 °C
Index of Refraction: 1.594
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.06
ACD/KOC (pH 5.5): 830.10
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.16
ACD/KOC (pH 7.4): 771.83
Polar Surface Area: 132 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 408.2±5.0 cm3

Click to predict properties on the Chemicalize site


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