ChemSpider 2D Image | 9a-Acetoxy-2-hydroperoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,2,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl (2E,4E)-2,4-undecadienoate | C33H46O10

9a-Acetoxy-2-hydroperoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,2,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl (2E,4E)-2,4-undecadienoate

  • Molecular FormulaC33H46O10
  • Average mass602.712 Da
  • Monoisotopic mass602.309082 Da
  • ChemSpider ID4943445
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E,4E)-2,4-Undécadiénoate de 9a-acétoxy-2-hydroperoxy-4a,7b-dihydroxy-3-(hydroxyméthyl)-1,1,6,8-tétraméthyl-5-oxo-1a,1b,2,4a,5,7a,7b,8,9,9a-décahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulén-9-yle [French] [ACD/IUPAC Name]
2,4-Undecadienoic acid, 9a-(acetyloxy)-1a,1b,2,4a,5,7a,7b,8,9,9a-decahydro-2-hydroperoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (2E ,4E)- [ACD/Index Name]
9a-Acetoxy-2-hydroperoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,2,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl (2E,4E)-2,4-undecadienoate [ACD/IUPAC Name]
9a-Acetoxy-2-hydroperoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,2,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl-(2E,4E)-2,4-undecadienoat [German] [ACD/IUPAC Name]
85527-84-0 [RN]
Ostodin
Undecadienoic acid, 9a-(acetyloxy)-1a,1b,2,4a,5,7a,7b,8,9,9a-decahydro-2-hydroperoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aα,1bβ,2β,4aβ,7aα,7bα,8α,9β,9aα))-
δ-5,6-7-Hydroperoxy-12-O-undecadienoylphorbol-13-acetate

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

NSC 353862 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 742.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.5±6.0 kJ/mol
Flash Point: 230.8±26.4 °C
Index of Refraction: 1.588
Molar Refractivity: 157.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15794.78
ACD/KOC (pH 5.5): 35227.49
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15774.90
ACD/KOC (pH 7.4): 35183.15
Polar Surface Area: 160 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 467.9±5.0 cm3

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