Found 44 results

Search term: C36H54O12 (Found by molecular formula)
ChemSpider 2D Image | Methyl (2E)-[(3S,5S,7S,10S,11S,16R,19R,20S,21R,24R,29R)-1,11,16,21-tetrahydroxy-10,20,24,29-tetramethyl-5-(2-methyl-1-propen-1-yl)-9,25-dioxo-4,8,27,28-tetraoxapentacyclo[17.7.1.1~3,7~.1~11,15~.0~21,2 6~]nonacos-13-ylidene]acetate | C36H54O12

Methyl (2E)-[(3S,5S,7S,10S,11S,16R,19R,20S,21R,24R,29R)-1,11,16,21-tetrahydroxy-10,20,24,29-tetramethyl-5-(2-methyl-1-propen-1-yl)-9,25-dioxo-4,8,27,28-tetraoxapentacyclo[17.7.1.13,7.111,15.021,2 6]nonacos-13-ylidene]acetate

  • Molecular FormulaC36H54O12
  • Average mass678.807 Da
  • Monoisotopic mass678.361511 Da
  • ChemSpider ID10143472

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 14 defined stereocentres

More details:

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

(2E)-[(3S,5S,7S,10S,11S,16R,19R,20S,21R,24R,29R)-1,11,16,21-Tétrahydroxy-10,20,24,29-tétraméthyl-5-(2-méthyl-1-propén-1-yl)-9,25-dioxo-4,8,27,28-tétraoxapentacyclo[17.7.1.13,7.111,15.021,26]nona cos-13-ylidène]acétate de méthyle [French] [ACD/IUPAC Name]
Methyl (2E)-[(3S,5S,7S,10S,11S,16R,19R,20S,21R,24R,29R)-1,11,16,21-tetrahydroxy-10,20,24,29-tetramethyl-5-(2-methyl-1-propen-1-yl)-9,25-dioxo-4,8,27,28-tetraoxapentacyclo[17.7.1.13,7.111,15.021,2 6]nonacos-13-ylidene]acetate [ACD/IUPAC Name]
Methyl-(2E)-[(3S,5S,7S,10S,11S,16R,19R,20S,21R,24R,29R)-1,11,16,21-tetrahydroxy-10,20,24,29-tetramethyl-5-(2-methyl-1-propen-1-yl)-9,25-dioxo-4,8,27,28-tetraoxapentacyclo[17.7.1.13,7.111,15.021,2 6]nonacos-13-yliden]acetat [German] [ACD/IUPAC Name]
miyakolide

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

NSC660369 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 847.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.1±6.0 kJ/mol
Flash Point: 259.8±27.8 °C
Index of Refraction: 1.571
Molar Refractivity: 176.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 111.55
ACD/KOC (pH 5.5): 1016.71
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 111.54
ACD/KOC (pH 7.4): 1016.58
Polar Surface Area: 178 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 537.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement