ChemSpider 2D Image | (1S,4E,4aS,9R,11aR)-1-Hydroxy-4-[(2E)-4-hydroxy-4-methyl-2-penten-1-ylidene]-7-methyl-11-methylene-1,3,4,4a,5,6,9,10,11,11a-decahydrocyclonona[c]pyran-9-yl acetate | C22H32O5

(1S,4E,4aS,9R,11aR)-1-Hydroxy-4-[(2E)-4-hydroxy-4-methyl-2-penten-1-ylidene]-7-methyl-11-methylene-1,3,4,4a,5,6,9,10,11,11a-decahydrocyclonona[c]pyran-9-yl acetate

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID24675343
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1S,4E,4aS,9R,11aR)-1-Hydroxy-4-[(2E)-4-hydroxy-4-methyl-2-penten-1-yliden]-7-methyl-11-methylen-1,3,4,4a,5,6,9,10,11,11a-decahydrocyclonona[c]pyran-9-yl-acetat [German] [ACD/IUPAC Name]
(1S,4E,4aS,9R,11aR)-1-Hydroxy-4-[(2E)-4-hydroxy-4-methyl-2-penten-1-ylidene]-7-methyl-11-methylene-1,3,4,4a,5,6,9,10,11,11a-decahydrocyclonona[c]pyran-9-yl acetate [ACD/IUPAC Name]
Acétate de (1S,4E,4aS,9R,11aR)-1-hydroxy-4-[(2E)-4-hydroxy-4-méthyl-2-pentén-1-ylidène]-7-méthyl-11-méthylène-1,3,4,4a,5,6,9,10,11,11a-décahydrocyclonona[c]pyran-9-yle [French] [ACD/IUPAC Name]
Cyclonona[c]pyran-1,9-diol, 1,3,4,4a,5,6,9,10,11,11a-decahydro-4-[(2E)-4-hydroxy-4-methyl-2-penten-1-ylidene]-7-methyl-11-methylene-, 9-acetate, (1S,4E,4aS,9R,11aR)- [ACD/Index Name]
asterolaurin D

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 528.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.4±6.0 kJ/mol
Flash Point: 177.2±23.6 °C
Index of Refraction: 1.543
Molar Refractivity: 105.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.16
ACD/KOC (pH 5.5): 954.65
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.16
ACD/KOC (pH 7.4): 954.64
Polar Surface Area: 76 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 333.9±5.0 cm3

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