ChemSpider 2D Image | (6beta,7beta,13beta,14alpha)-5,7-Dihydroxy-13-(2-methoxy-2-oxoethyl)-14-methyl-12-oxopodocarpan-6-yl (2E)-3-phenylacrylate | C30H40O7

(6β,7β,13β,14α)-5,7-Dihydroxy-13-(2-methoxy-2-oxoethyl)-14-methyl-12-oxopodocarpan-6-yl (2E)-3-phenylacrylate

  • Molecular FormulaC30H40O7
  • Average mass512.634 Da
  • Monoisotopic mass512.277405 Da
  • ChemSpider ID4945378

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de (6β,7β,13β,14α)-5,7-dihydroxy-13-(2-méthoxy-2-oxoéthyl)-14-méthyl-12-oxopodocarpan-6-yle [French] [ACD/IUPAC Name]
(6β,7β,13β,14α)-5,7-Dihydroxy-13-(2-methoxy-2-oxoethyl)-14-methyl-12-oxopodocarpan-6-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(6β,7β,13β,14α)-5,7-Dihydroxy-13-(2-methoxy-2-oxoethyl)-14-methyl-12-oxopodocarpan-6-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
2-Phenanthreneacetic acid, tetradecahydro-8a,10-dihydroxy-1,4b,8,8-tetramethyl-3-oxo-9-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (1R,2S,4aS,4bR,8aR,9R,10R,10aS)- [ACD/Index Name]
(6β,7β,8ξ,13β,14α)-5,7-dihydroxy-13-(2-methoxy-2-oxoethyl)-14-methyl-12-oxopodocarpan-6-yl (2E)-3-phenylprop-2-enoate
105389-29-5 [RN]
2-Phenanthreneacetic acid, tetradecahydro-8a,10-dihydroxy-1,4b,8,8-tetramethyl-3-oxo-9-((1-oxo-3-phenyl-2-propenyl)oxy)-, methyl ester, (1R-(1α,2β,4aα,4bβ,8aα,9β(E),10β,10aβ))-
2-Phenanthreneaceticacid,tetradecahydro-8a,10-dihydroxy-1,4b,8,8-tetramethyl-3-oxo-9-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-,methyl ester, (1R,2S,4aS,4bR,8aR,9R,10R,10aS)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL455618/
Pulcherralpin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 629.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 199.2±25.0 °C
Index of Refraction: 1.573
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1684.82
ACD/KOC (pH 5.5): 7098.48
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1684.82
ACD/KOC (pH 7.4): 7098.46
Polar Surface Area: 110 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 420.0±5.0 cm3

Click to predict properties on the Chemicalize site


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