ChemSpider 2D Image | stellettin H | C32H44O5

stellettin H

  • Molecular FormulaC32H44O5
  • Average mass508.689 Da
  • Monoisotopic mass508.318878 Da
  • ChemSpider ID558782

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E,4E,6E,8E,10E)-10-[(3aS,5aR,7S,9aR,9bS)-7-Acetoxy-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-Acetoxy-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-Acetoxy-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)-7-(acetyloxy)dodecahydro-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-acétoxy-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 H
(13E,15E,17E,22E,24E)-3β-acetoxy-12-oxo-isomalabarica-13,15,17,22,24-pentaen-26-oic acid
10-(7-Acetoxy-3a,6,6,9a-tetramethyl-2-oxo-dodecahydro-cyclopenta[a]naphthalen-3-ylidene)-2,6-dimethyl-undeca-2,4,6,8-tetraenoic acid
rel-(2E,4E,6E,8E,10E)-10-[(3aR,5aS,7R,9aS,9bR)-7-(acetyloxy)-3a,6,6,9a-tetramethyl-2-oxododecahydro-3H-cyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,4,6,8-tetraenoic acid (non-preferred name
stelletin H

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

Density: 1.1±0.1 g/cm3
Boiling Point: 647.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±6.0 kJ/mol
Flash Point: 202.0±25.0 °C
Index of Refraction: 1.552
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 13167.87
ACD/KOC (pH 5.5): 17435.91
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 208.16
ACD/KOC (pH 7.4): 275.64
Polar Surface Area: 81 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 458.0±5.0 cm3

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