ChemSpider 2D Image | (3E,3aS,5aR,6R,7R,9aR,9bS)-7-Acetoxy-3-[(3E,5E,7E)-9-ethoxy-10-hydroxy-6,10-dimethyl-3,5,7-undecatrien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylic acid | C34H50O7

(3E,3aS,5aR,6R,7R,9aR,9bS)-7-Acetoxy-3-[(3E,5E,7E)-9-ethoxy-10-hydroxy-6,10-dimethyl-3,5,7-undecatrien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylic acid

  • Molecular FormulaC34H50O7
  • Average mass570.757 Da
  • Monoisotopic mass570.355652 Da
  • ChemSpider ID9895842

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3E,3aS,5aR,6R,7R,9aR,9bS)-7-Acetoxy-3-[(3E,5E,7E)-9-ethoxy-10-hydroxy-6,10-dimethyl-3,5,7-undecatrien-2-yliden]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalin-6-carbonsäure [German] [ACD/IUPAC Name]
(3E,3aS,5aR,6R,7R,9aR,9bS)-7-Acetoxy-3-[(3E,5E,7E)-9-ethoxy-10-hydroxy-6,10-dimethyl-3,5,7-undecatrien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylic acid [ACD/IUPAC Name]
(3E,3aS,5aR,6R,7R,9aR,9bS)-7-Acetoxy-3-[(3E,5E,7E)-9-ethoxy-10-hydroxy-6,10-dimethylundeca-3,5,7-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylic acid
1H-Benz[e]indene-6-carboxylic acid, 7-(acetyloxy)-3-[(2E,4E,6E)-8-ethoxy-9-hydroxy-1,5,9-trimethyl-2,4,6-decatrien-1-ylidene]dodecahydro-3a,6,9a-trimethyl-2-oxo-, (3E,3aS,5aR,6R,7R,9aR,9bS)- [ACD/Index Name]
Acide (3E,3aS,5aR,6R,7R,9aR,9bS)-7-acétoxy-3-[(3E,5E,7E)-9-éthoxy-10-hydroxy-6,10-diméthyl-3,5,7-undécatrién-2-ylidène]-3a,6,9a-triméthyl-2-oxododécahydro-1H-cyclopenta[a]naphtalène-6-carboxylique [French] [ACD/IUPAC Name]
(3E,3aS,5aR,6R,7R,9aR,9bS)-7-(acetyloxy)-3-[(3E,5E,7E)-9-ethoxy-10-hydroxy-6,10-dimethylundeca-3,5,7-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylic acid
globostellatic acid J
Globostellatic acid J, K
Globostellatic acids J

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

Density: 1.1±0.1 g/cm3
Boiling Point: 695.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 212.4±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 159.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 567.40
ACD/KOC (pH 5.5): 1471.09
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 9.23
ACD/KOC (pH 7.4): 23.93
Polar Surface Area: 110 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 501.1±5.0 cm3

Click to predict properties on the Chemicalize site


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