ChemSpider 2D Image | (2R,6S,7S,8R,10S,11S,12R,14R,16R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-[(1E,3E)-1,3-tetradecadien-1-yl]-9,13,15,19-tetraoxahexacyclo[12.4.1.0~1,11~.0~2,6~.0~8,10~.0~12,1 6~]nonadec-3-en-5-one | C35H50O8

(2R,6S,7S,8R,10S,11S,12R,14R,16R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-[(1E,3E)-1,3-tetradecadien-1-yl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,1 6]nonadec-3-en-5-one

  • Molecular FormulaC35H50O8
  • Average mass598.767 Da
  • Monoisotopic mass598.350586 Da
  • ChemSpider ID4946716

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(2R,6S,7S,8R,10S,11S,12R,14R,16R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-[(1E,3E)-1,3-tetradecadien-1-yl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,1 6]nonadec-3-en-5-on [German] [ACD/IUPAC Name]
(2R,6S,7S,8R,10S,11S,12R,14R,16R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-[(1E,3E)-1,3-tetradecadien-1-yl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,1 6]nonadec-3-en-5-one [ACD/IUPAC Name]
(2R,6S,7S,8R,10S,11S,12R,14R,16R,18R)-6,7-Dihydroxy-8-(hydroxyméthyl)-16-isopropényl-4,18-diméthyl-14-[(1E,3E)-1,3-tétradécadién-1-yl]-9,13,15,19-tétraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,1 6]nonadéc-3-én-5-one [French] [ACD/IUPAC Name]
6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one, 3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-[(1E,3E)-1,3-tetradecadien- 1-yl]-, (2R,3aR,3bS,3cS,4aR,5S,5aS,8aR,9R,10aR)- [ACD/Index Name]
88497-81-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 711.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 118.8±6.0 kJ/mol
Flash Point: 218.8±26.4 °C
Index of Refraction: 1.592
Molar Refractivity: 162.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.49
ACD/LogD (pH 5.5): 8.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 862641.06
ACD/LogD (pH 7.4): 8.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 862517.00
Polar Surface Area: 118 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 480.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement