ChemSpider 2D Image | Dehydroandrographolide | C20H28O5

Dehydroandrographolide

  • Molecular FormulaC20H28O5
  • Average mass348.433 Da
  • Monoisotopic mass348.193665 Da
  • ChemSpider ID24534065

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3E)-4-Hydroxy-3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylendecahydro-1-naphthalinyl]ethyliden}-2(3H)-furanon [German] [ACD/IUPAC Name]
(3E)-4-Hydroxy-3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxyméthyl)-5,8a-diméthyl-2-méthylènedécahydro-1-naphtalényl]éthylidène}-2(3H)-furanone [French] [ACD/IUPAC Name]
(3E)-4-Hydroxy-3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]ethylidene}-2(3H)-furanone [ACD/IUPAC Name]
(3E)-4-Hydroxy-3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl]ethylidene}furan-2(3H)-one
134418-28-3 [RN]
2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]-4-hydroxy-, (3E)- [ACD/Index Name]
Dehydroandrographolide
(3E)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyfuran-2-one
[134418-28-3] [RN]
Andrographolide [Wiki]
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.2±6.0 kJ/mol
Flash Point: 178.3±23.6 °C
Index of Refraction: 1.584
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.72
ACD/KOC (pH 5.5): 450.00
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.23
ACD/KOC (pH 7.4): 443.73
Polar Surface Area: 87 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 280.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement