ChemSpider 2D Image | (1alpha,2alpha,15E)-2,12-Dihydroxy-1,2-dihydrosenecionan-11,16-dione | C18H27NO6

(1α,2α,15E)-2,12-Dihydroxy-1,2-dihydrosenecionan-11,16-dione

  • Molecular FormulaC18H27NO6
  • Average mass353.410 Da
  • Monoisotopic mass353.183838 Da
  • ChemSpider ID57641920
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(1α,2α,15E)-2,12-Dihydroxy-1,2-dihydrosenecionan-11,16-dion [German] [ACD/IUPAC Name]
(1α,2α,15E)-2,12-Dihydroxy-1,2-dihydrosenecionan-11,16-dione [ACD/IUPAC Name]
(1α,2α,15E)-2,12-Dihydroxy-1,2-dihydrosénécionan-11,16-dione [French] [ACD/IUPAC Name]
[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidenedodecahydro-6,10-dihydroxy-5,6-dimethyl-, (3E,5R,6R,9aS,10S,14aR,14bR)- [ACD/Index Name]
520-65-0 [RN]
Rosmarinine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 579.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 304.4±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 89.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.36
Polar Surface Area: 96 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 272.6±5.0 cm3

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