ChemSpider 2D Image | stellettin L | C30H42O4

stellettin L

  • Molecular FormulaC30H42O4
  • Average mass466.652 Da
  • Monoisotopic mass466.308319 Da
  • ChemSpider ID23076248

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2E,4E,6E,8E,10E)-10-[(3aS,5aR,7S,9aR,9bS)-7-Hydroxy-3a,6,6,9a-tetramethyl-2-oxododecahydro-3H-cyclopenta[a]naphthalen-3-ylidene]-2,6-dimethyl-2,4,6,8-undecatetraenoic acid [ACD/IUPAC Name]
(2E,4E,6E,8E,10E)-10-[(3aS,5aR,7S,9aR,9bS)-7-hydroxy-3a,6,6,9a-tetramethyl-2-oxododecahydro-3H-cyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,4,6,8-tetraenoic acid
(2E,4E,6E,8E,10E)-10-[(3aS,5aR,7S,9aR,9bS)-7-Hydroxy-3a,6,6,9a-tetramethyl-2-oxododecahydro-3H-cyclopenta[a]naphthalin-3-yliden]-2,6-dimethyl-2,4,6,8-undecatetraensäure [German] [ACD/IUPAC Name]
2,4,6,8-Undecatetraenoic acid, 10-[(3aS,5aR,7S,9aR,9bS)-dodecahydro-7-hydroxy-3a,6,6,9a-tetramethyl-2-oxo-3H-benz[e]inden-3-ylidene]-2,6-dimethyl-, (2E,4E,6E,8E,10E)- [ACD/Index Name]
Acide (2E,4E,6E,8E,10E)-10-[(3aS,5aR,7S,9aR,9bS)-7-hydroxy-3a,6,6,9a-tétraméthyl-2-oxododécahydro-3H-cyclopenta[a]naphtalén-3-ylidène]-2,6-diméthyl-2,4,6,8-undécatétraénoïque [French] [ACD/IUPAC Name]
stellettin L
(13E,15E,17E,22E,24E)-3-β-hydroxy-12-oxo-isomalabarica-13,15,17,22,24-pentaen-26-oic acid
stelletin L

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

Density: 1.1±0.1 g/cm3
Boiling Point: 642.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.6±6.0 kJ/mol
Flash Point: 356.5±28.0 °C
Index of Refraction: 1.553
Molar Refractivity: 137.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 2049.16
ACD/KOC (pH 5.5): 4603.65
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 32.39
ACD/KOC (pH 7.4): 72.78
Polar Surface Area: 75 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 429.7±3.0 cm3

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