ChemSpider 2D Image | 9-yl ester, (2E,4E)- | C32H42O8

9-yl ester, (2E,4E)-

  • Molecular FormulaC32H42O8
  • Average mass554.671 Da
  • Monoisotopic mass554.287964 Da
  • ChemSpider ID4940884

  • 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

(1aS,1bR,4aS,7aR,7bS,8S,9S,9aR)-9a-Acetoxy-3-(acetoxymethyl)-7b-hydroxy-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl (2E,4E)-2,4-octadienoate [ACD/IUPAC Name]
(1aS,1bR,4aS,7aR,7bS,8S,9S,9aR)-9a-Acetoxy-3-(acetoxymethyl)-7b-hydroxy-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl-(2E,4E)-2,4-octadienoat [German] [ACD/IUPAC Name]
(2E,4E)-2,4-Octadiénoate de (1aS,1bR,4aS,7aR,7bS,8S,9S,9aR)-9a-acétoxy-3-(acétoxyméthyl)-7b-hydroxy-1,1,6,8-tétraméthyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-décahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulén-9 -yle [French] [ACD/IUPAC Name]
2,4-Octadienoic acid, (1aS,1bR,4aS,7aR,7bS,8S,9S,9aR)-9a-(acetyloxy)-3-[(acetyloxy)methyl]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-
2,4-Octadienoic acid, (1aS,1bR,4aS,7aR,7bS,8S,9S,9aR)-9a-(acetyloxy)-3-[(acetyloxy)methyl]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen- 9-yl ester, (2E,4E)- [ACD/Index Name]
9-yl ester, (2E,4E)-
2,4-Octadienoic acid, (1aS,1bR,4aS,7aR,7bS,8S,9S,9aR)-9a-(acetyloxy)-3-[(acetyloxy)methyl]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (2E,4E)-
71906-58-6 [RN]
PHORBOL, DIACETYL-12-OCTADIENOYL-4-DEOXY-

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

AIDS031281 [DBID]
AIDS-031281 [DBID]
NSC 339875 [DBID]
NSC339875 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 636.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±6.0 kJ/mol
Flash Point: 196.6±25.0 °C
Index of Refraction: 1.563
Molar Refractivity: 148.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7280.45
ACD/KOC (pH 5.5): 20235.96
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7280.44
ACD/KOC (pH 7.4): 20235.91
Polar Surface Area: 116 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 456.6±5.0 cm3

Click to predict properties on the Chemicalize site


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