ChemSpider 2D Image | 3-epi-29-hydroxystelliferin E | C34H50O6

3-epi-29-hydroxystelliferin E

  • Molecular FormulaC34H50O6
  • Average mass554.757 Da
  • Monoisotopic mass554.360718 Da
  • ChemSpider ID10276184

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3Z,3aS,5aR,6S,7R,9aR,9bS)-3-[(3E,5E,7S)-7-Acetoxy-6,10-dimethyl-3,5,9-undecatrien-2-yliden]-6-(hydroxymethyl)-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalin-7-yl-acetat [German] [ACD/IUPAC Name]
(3Z,3aS,5aR,6S,7R,9aR,9bS)-3-[(3E,5E,7S)-7-Acetoxy-6,10-dimethyl-3,5,9-undecatrien-2-ylidene]-6-(hydroxymethyl)-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalen-7-yl acetate [ACD/IUPAC Name]
2H-Benz[e]inden-2-one, 7-(acetyloxy)-3-[(2E,4E,6S)-6-(acetyloxy)-1,5,9-trimethyl-2,4,8-decatrien-1-ylidene]dodecahydro-6-(hydroxymethyl)-3a,6,9a-trimethyl-, (3Z,3aS,5aR,6S,7R,9aR,9bS)- [ACD/Index Name]
3-epi-29-hydroxystelliferin E
Acétate de (3Z,3aS,5aR,6S,7R,9aR,9bS)-3-[(3E,5E,7S)-7-acétoxy-6,10-diméthyl-3,5,9-undécatrién-2-ylidène]-6-(hydroxyméthyl)-3a,6,9a-triméthyl-2-oxododécahydro-1H-cyclopenta[a]naphtalén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 647.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±6.0 kJ/mol
Flash Point: 195.2±25.0 °C
Index of Refraction: 1.538
Molar Refractivity: 157.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 85135.36
ACD/KOC (pH 5.5): 117639.28
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 85135.36
ACD/KOC (pH 7.4): 117639.28
Polar Surface Area: 90 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 503.3±5.0 cm3

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