Found 1 result

Search term: 78443371 (Found by CSID)
ChemSpider 2D Image | (2E,6R)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(3-Hydroxypropyl)-7-isopropylidene-3a,5a,9b-trimethyldodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methyl-2-heptenoic acid | C30H50O3

(2E,6R)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(3-Hydroxypropyl)-7-isopropylidene-3a,5a,9b-trimethyldodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methyl-2-heptenoic acid

  • Molecular FormulaC30H50O3
  • Average mass458.716 Da
  • Monoisotopic mass458.376007 Da
  • ChemSpider ID78443371

  • 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

(2E,6R)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(3-Hydroxypropyl)-7-isopropyliden-3a,5a,9b-trimethyldodecahydro-1H-cyclopenta[a]naphthalin-3-yl]-2-methyl-2-heptensäure [German] [ACD/IUPAC Name]
(2E,6R)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(3-Hydroxypropyl)-7-isopropylidene-3a,5a,9b-trimethyldodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methyl-2-heptenoic acid [ACD/IUPAC Name]
2-Heptenoic acid, 6-[(3R,3aR,5aS,6S,9aR,9bS)-dodecahydro-6-(3-hydroxypropyl)-3a,5a,9b-trimethyl-7-(1-methylethylidene)-1H-benz[e]inden-3-yl]-2-methyl-, (2E,6R)- [ACD/Index Name]
Acide (2E,6R)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(3-hydroxypropyl)-7-isopropylidène-3a,5a,9b-triméthyldodécahydro-1H-cyclopenta[a]naphtalén-3-yl]-2-méthyl-2-hepténoïque [French] [ACD/IUPAC Name]
3,4-secocucurbita-4,24E-diene-3-hydroxy-26-carboxylic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 563.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.3±6.0 kJ/mol
Flash Point: 308.8±19.1 °C
Index of Refraction: 1.518
Molar Refractivity: 137.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 10.08
ACD/LogD (pH 5.5): 8.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 480680.66
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 18423.87
ACD/KOC (pH 7.4): 8315.88
Polar Surface Area: 58 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 453.1±3.0 cm3

Click to predict properties on the Chemicalize site


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