ChemSpider 2D Image | (3beta,11R,13beta,19alpha)-3-Methoxy-1,2-didehydrocrinan-6,11-diol | C17H19NO5

(3β,11R,13β,19α)-3-Methoxy-1,2-didehydrocrinan-6,11-diol

  • Molecular FormulaC17H19NO5
  • Average mass317.336 Da
  • Monoisotopic mass317.126312 Da
  • ChemSpider ID23311775

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3β,11R,13β,19α)-3-Methoxy-1,2-didehydrocrinan-6,11-diol [ACD/IUPAC Name]
(3β,11R,13β,19α)-3-Méthoxy-1,2-didéhydrocrinan-6,11-diol [French] [ACD/IUPAC Name]
3H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine-6,12-diol, 4,4a-dihydro-3-methoxy-, (3S,4aS,11bS,12R)- [ACD/Index Name]
(±)-haemanthidine
(1S,13S,15S,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2(10),3,8,16-tetraene-11,18-diol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 517.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 266.7±30.1 °C
Index of Refraction: 1.704
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.54
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.48
Polar Surface Area: 71 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 209.8±5.0 cm3

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