ChemSpider 2D Image | (4S,5S,6R,9S,10R,12R,14R)-5,6-Dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-4-yl (2E,4Z)-2,4-decadienoate | C30H42O6

(4S,5S,6R,9S,10R,12R,14R)-5,6-Dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-4-yl (2E,4Z)-2,4-decadienoate

  • Molecular FormulaC30H42O6
  • Average mass498.651 Da
  • Monoisotopic mass498.298126 Da
  • ChemSpider ID57256910
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres


More details:






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

(2E,4Z)-2,4-Décadiénoate de (4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxyméthyl)-3,11,11,14-tétraméthyl-15-oxotétracyclo[7.5.1.01,5.010,12]pentadéca-2,7-dién-4-yle [French] [ACD/IUPAC Name]
(4S,5S,6R,9S,10R,12R,14R)-5,6-Dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-4-yl (2E,4Z)-2,4-decadienoate [ACD/IUPAC Name]
(4S,5S,6R,9S,10R,12R,14R)-5,6-Dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-4-yl-(2E,4Z)-2,4-decadienoat [German] [ACD/IUPAC Name]
2,4-Decadienoic acid, (1aR,2S,5R,5aS,6S,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl est er, (2E,4Z)- [ACD/Index Name]
3-O-(2'E ,4'Z-decadienoyl)-20-deoxyingenol
672941-64-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.6±6.0 kJ/mol
Flash Point: 201.7±25.0 °C
Index of Refraction: 1.584
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 6.88
ACD/BCF (pH 5.5): 99825.69
ACD/KOC (pH 5.5): 131836.64
ACD/LogD (pH 7.4): 6.88
ACD/BCF (pH 7.4): 99817.47
ACD/KOC (pH 7.4): 131825.78
Polar Surface Area: 104 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 413.5±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement