ChemSpider 2D Image | (4S,5S,6R,9S,10R,12R,14R)-5,6-Dihydroxy-3,7,11,11,14-pentamethyl-15-oxotetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-4-yl (2E,4Z)-2,4-decadienoate | C30H42O5

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

  • Molecular FormulaC30H42O5
  • Average mass482.651 Da
  • Monoisotopic mass482.303223 Da
  • ChemSpider ID64974540

  • 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-3,7,11,11,14-pentaméthyl-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-3,7,11,11,14-pentamethyl-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-3,7,11,11,14-pentamethyl-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-1,1,4,7,9-pentamethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester, (2E,4Z)- [ACD/Index Name]
[(4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (2E,4Z)-deca-2,4-dienoate
3-O-(2'E ,4'Z-decadienoyl)-20-deoxyingenol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 594.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 186.8±23.6 °C
Index of Refraction: 1.572
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 311081.47
ACD/KOC (pH 5.5): 297421.91
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 311061.31
ACD/KOC (pH 7.4): 297402.63
Polar Surface Area: 84 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 416.3±5.0 cm3

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