ChemSpider 2D Image | (3Z,4R)-3-{2-[(3S,4aS,6aR,7S,10aR,10bS)-3-(2,6-Dimethoxyphenyl)-6a,10b-dimethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]ethylidene}-4-hydroxydihydro-2(3H)-furanone | C29H38O7

(3Z,4R)-3-{2-[(3S,4aS,6aR,7S,10aR,10bS)-3-(2,6-Dimethoxyphenyl)-6a,10b-dimethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]ethylidene}-4-hydroxydihydro-2(3H)-furanone

  • Molecular FormulaC29H38O7
  • Average mass498.608 Da
  • Monoisotopic mass498.261749 Da
  • ChemSpider ID30655105

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3Z,4R)-3-{2-[(3S,4aS,6aR,7S,10aR,10bS)-3-(2,6-Dimethoxyphenyl)-6a,10b-dimethyl-8-methylendecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]ethyliden}-4-hydroxydihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3Z,4R)-3-{2-[(3S,4aS,6aR,7S,10aR,10bS)-3-(2,6-Dimethoxyphenyl)-6a,10b-dimethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]ethylidene}-4-hydroxydihydro-2(3H)-furanone [ACD/IUPAC Name]
(3Z,4R)-3-{2-[(3S,4aS,6aR,7S,10aR,10bS)-3-(2,6-Diméthoxyphényl)-6a,10b-diméthyl-8-méthylènedécahydro-1H-naphto[2,1-d][1,3]dioxin-7-yl]éthylidène}-4-hydroxydihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 3-[2-[(3S,4aS,6aR,7S,10aR,10bS)-3-(2,6-dimethoxyphenyl)decahydro-6a,10b-dimethyl-8-methylene-1H-naphtho[2,1-d][1,3]dioxin-7-yl]ethylidene]dihydro-4-hydroxy-, (3Z,4R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 646.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 209.6±25.0 °C
Index of Refraction: 1.578
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1692.89
ACD/KOC (pH 5.5): 7122.79
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1692.87
ACD/KOC (pH 7.4): 7122.71
Polar Surface Area: 83 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 405.2±5.0 cm3

Click to predict properties on the Chemicalize site


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