ChemSpider 2D Image | (6Z)-2-Hydroxy-3,6,8,8,10a-pentamethyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-4a-yl (2E)-3-phenylacrylate | C29H36O5

(6Z)-2-Hydroxy-3,6,8,8,10a-pentamethyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-4a-yl (2E)-3-phenylacrylate

  • Molecular FormulaC29H36O5
  • Average mass464.593 Da
  • Monoisotopic mass464.256287 Da
  • ChemSpider ID24703484

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de (6Z)-2-hydroxy-3,6,8,8,10a-pentaméthyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodécahydro-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundéca[1,2-b]oxirén-4a-yle [French] [ACD/IUPAC Name]
(6Z)-2-Hydroxy-3,6,8,8,10a-pentamethyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-4a-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(6Z)-2-Hydroxy-3,6,8,8,10a-pentamethyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-4a-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (6Z)-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-2-hydroxy-3,6,8,8,10a-pentamethyl-5-oxo-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundec[1,2-b]oxiren-4a-yl ester, (2E)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL489265/
jolkinol B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 598.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 194.0±23.6 °C
Index of Refraction: 1.591
Molar Refractivity: 129.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13757.55
ACD/KOC (pH 5.5): 31912.13
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13757.55
ACD/KOC (pH 7.4): 31912.13
Polar Surface Area: 76 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 384.2±5.0 cm3

Click to predict properties on the Chemicalize site


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