ChemSpider 2D Image | (3Z,3aS,5aR,6R,7R,9aR,9bS)-3-[(3E,5E,7E)-9,10-Dihydroxy-6,10-dimethyl-3,5,7-undecatrien-2-ylidene]-7-hydroxy-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylic acid | C30H44O6

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

  • Molecular FormulaC30H44O6
  • Average mass500.667 Da
  • Monoisotopic mass500.313782 Da
  • ChemSpider ID13082556

  • 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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.6±6.0 kJ/mol
Flash Point: 392.9±29.4 °C
Index of Refraction: 1.568
Molar Refractivity: 140.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 22.64
ACD/KOC (pH 5.5): 145.20
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.37
Polar Surface Area: 115 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 429.4±3.0 cm3

Click to predict properties on the Chemicalize site


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