Found 1 result

Search term: 78436768 (Found by CSID)
ChemSpider 2D Image | (2R,5S,9R,13S,15S)-15-Hydroxy-5-methyl-6-{(2R)-2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}tetracyclo[11.4.1.0~2,10~.0~5,9~]octadeca-1(17),10-dien-12-one | C25H34O3

(2R,5S,9R,13S,15S)-15-Hydroxy-5-methyl-6-{(2R)-2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}tetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one

  • Molecular FormulaC25H34O3
  • Average mass382.536 Da
  • Monoisotopic mass382.250793 Da
  • ChemSpider ID78436768

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(2R,5S,9R,13S,15S)-15-Hydroxy-5-methyl-6-{(2R)-2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}tetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-on [German] [ACD/IUPAC Name]
(2R,5S,9R,13S,15S)-15-Hydroxy-5-methyl-6-{(2R)-2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}tetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one [ACD/IUPAC Name]
(2R,5S,9R,13S,15S)-15-Hydroxy-5-méthyl-6-{(2R)-2-méthyl-3-[(1E)-1-propén-1-yl]-2-oxiranyl}tétracyclo[11.4.1.02,10.05,9]octadéca-1(17),10-dién-12-one [French] [ACD/IUPAC Name]
6,11-Methano-12H-cyclodec[e]inden-12-one, 1,2,3,3a,4,5,5a,8,9,10,11,13b-dodecahydro-9-hydroxy-3a-methyl-3-[(2R)-2-methyl-3-[(1E)-1-propen-1-yl]oxiranyl]-, (3aS,5aR,9S,11S,13bR)- [ACD/Index Name]
Precyclocitrinol 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: 550.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.5±6.0 kJ/mol
Flash Point: 185.9±23.6 °C
Index of Refraction: 1.584
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 683.31
ACD/KOC (pH 5.5): 3720.69
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 683.31
ACD/KOC (pH 7.4): 3720.69
Polar Surface Area: 50 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 329.1±5.0 cm3

Click to predict properties on the Chemicalize site


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