ChemSpider 2D Image | (2Z,4E,6E,8E,10Z)-2,6-Dimethyl-10-[(3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-2,7-dioxododecahydro-3H-cyclopenta[a]naphthalen-3-ylidene]-2,4,6,8-undecatetraenoic acid | C30H40O4

(2Z,4E,6E,8E,10Z)-2,6-Dimethyl-10-[(3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-2,7-dioxododecahydro-3H-cyclopenta[a]naphthalen-3-ylidene]-2,4,6,8-undecatetraenoic acid

  • Molecular FormulaC30H40O4
  • Average mass464.636 Da
  • Monoisotopic mass464.292664 Da
  • ChemSpider ID23339701

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2Z,4E,6E,8E,10Z)-2,6-Dimethyl-10-[(3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-2,7-dioxododecahydro-3H-cyclopenta[a]naphthalen-3-ylidene]-2,4,6,8-undecatetraenoic acid [ACD/IUPAC Name]
(2Z,4E,6E,8E,10Z)-2,6-Dimethyl-10-[(3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-2,7-dioxododecahydro-3H-cyclopenta[a]naphthalin-3-yliden]-2,4,6,8-undecatetraensäure [German] [ACD/IUPAC Name]
2,4,6,8-Undecatetraenoic acid, 10-[(3aS,5aR,9aR,9bS)-dodecahydro-3a,6,6,9a-tetramethyl-2,7-dioxo-3H-benz[e]inden-3-ylidene]-2,6-dimethyl-, (2Z,4E,6E,8E,10Z)- [ACD/Index Name]
Acide (2Z,4E,6E,8E,10Z)-2,6-diméthyl-10-[(3aS,5aR,9aR,9bS)-3a,6,6,9a-tétraméthyl-2,7-dioxododécahydro-3H-cyclopenta[a]naphtalén-3-ylidène]-2,4,6,8-undécatétraénoïque [French] [ACD/IUPAC Name]
(2Z,4E,6E,8E,10Z)-2,6-dimethyl-10-[(3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-2,7-dioxododecahydro-3H-cyclopenta[a]naphthalen-3-ylidene]undeca-2,4,6,8-tetraenoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463717/
Stelletin G
Stellettin G

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

Density: 1.1±0.1 g/cm3
Boiling Point: 641.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±6.0 kJ/mol
Flash Point: 355.9±28.0 °C
Index of Refraction: 1.547
Molar Refractivity: 136.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2006.10
ACD/KOC (pH 5.5): 4989.61
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 32.83
ACD/KOC (pH 7.4): 81.66
Polar Surface Area: 71 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 429.2±3.0 cm3

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