Found 1 result

Search term: 78436711 (Found by CSID)
ChemSpider 2D Image | (1S,4S,9S,12R)-2-Formyl-12-hydroxy-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.0~1,9~.0~3,7~]trideca-2,6-dien-4-yl hexanoate | C21H26O6

(1S,4S,9S,12R)-2-Formyl-12-hydroxy-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.01,9.03,7]trideca-2,6-dien-4-yl hexanoate

  • Molecular FormulaC21H26O6
  • Average mass374.427 Da
  • Monoisotopic mass374.172943 Da
  • ChemSpider ID78436711

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4S,9S,12R)-2-Formyl-12-hydroxy-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.01,9.03,7]trideca-2,6-dien-4-yl hexanoate [ACD/IUPAC Name]
(1S,4S,9S,12R)-2-Formyl-12-hydroxy-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.01,9.03,7]trideca-2,6-dien-4-yl-hexanoat [German] [ACD/IUPAC Name]
Hexanoate de (1S,4S,9S,12R)-2-formyl-12-hydroxy-5,5-diméthyl-10-oxo-11-oxatétracyclo[7.3.1.01,9.03,7]tridéca-2,6-dién-4-yle [French] [ACD/IUPAC Name]
Hexanoic acid, (1R,3aS,7S,8aS)-8-formyl-6,7-dihydro-1-hydroxy-6,6-dimethyl-3-oxo-3H,4H-3a,8a-methano-1H-indeno[5,6-c]furan-7-yl ester [ACD/Index Name]
sterelactone B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 596.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.0±6.0 kJ/mol
Flash Point: 211.1±23.6 °C
Index of Refraction: 1.581
Molar Refractivity: 95.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 15.96
ACD/KOC (pH 5.5): 252.80
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 15.96
ACD/KOC (pH 7.4): 252.73
Polar Surface Area: 90 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 287.6±5.0 cm3

Click to predict properties on the Chemicalize site


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