ChemSpider 2D Image | (1S,11S,20S,21R)-5,7,16,24-Tetrahydroxyoctacyclo[19.7.1.1~2,6~.0~1,11~.0~10,30~.0~11,20~.0~12,17~.0~23,28~]triaconta-2(30),3,5,7,9,12,14,16,23,25,27-undecaene-18,22,29-trione | C30H18O7

(1S,11S,20S,21R)-5,7,16,24-Tetrahydroxyoctacyclo[19.7.1.12,6.01,11.010,30.011,20.012,17.023,28]triaconta-2(30),3,5,7,9,12,14,16,23,25,27-undecaene-18,22,29-trione

  • Molecular FormulaC30H18O7
  • Average mass490.460 Da
  • Monoisotopic mass490.105255 Da
  • ChemSpider ID78440089

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,11S,20S,21R)-5,7,16,24-Tetrahydroxyoctacyclo[19.7.1.12,6.01,11.010,30.011,20.012,17.023,28]triaconta-2(30),3,5,7,9,12,14,16,23,25,27-undecaen-18,22,29-trion [German] [ACD/IUPAC Name]
(1S,11S,20S,21R)-5,7,16,24-Tetrahydroxyoctacyclo[19.7.1.12,6.01,11.010,30.011,20.012,17.023,28]triaconta-2(30),3,5,7,9,12,14,16,23,25,27-undecaene-18,22,29-trione [ACD/IUPAC Name]
(1S,11S,20S,21R)-5,7,16,24-Tétrahydroxyoctacyclo[19.7.1.12,6.01,11.010,30.011,20.012,17.023,28]triaconta-2(30),3,5,7,9,12,14,16,23,25,27-undécaène-18,22,29-trione [French] [ACD/IUPAC Name]
11H-13,18b-Methanobenzo[3,4]naphtho[1',2':1,7]cyclohept[1,2-a]acenaphthylene-11,14,19(12H)-trione, 12a,13-dihydro-3,4,10,15-tetrahydroxy-, (6bS,12aS,13R,18bS)- [ACD/Index Name]
(+)-daeschol A

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

Density: 1.8±0.1 g/cm3
Boiling Point: 786.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 443.5±29.4 °C
Index of Refraction: 1.905
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 5909.25
ACD/KOC (pH 5.5): 15774.15
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 97.96
ACD/KOC (pH 7.4): 261.51
Polar Surface Area: 132 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 122.1±5.0 dyne/cm
Molar Volume: 276.3±5.0 cm3

Click to predict properties on the Chemicalize site


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