ChemSpider 2D Image | (1R,3aS,4Z,8R,8aS,9S,12aS,13R,13aR)-13,13a-Dihydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,9,10,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,9-diyl diacetate | C24H34O8

(1R,3aS,4Z,8R,8aS,9S,12aS,13R,13aR)-13,13a-Dihydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,9,10,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,9-diyl diacetate

  • Molecular FormulaC24H34O8
  • Average mass450.522 Da
  • Monoisotopic mass450.225372 Da
  • ChemSpider ID24691769

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,3aS,4Z,8R,8aS,9S,12aS,13R,13aR)-13,13a-Dihydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,9,10,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,9-diyl diacetate [ACD/IUPAC Name]
(1R,3aS,4Z,8R,8aS,9S,12aS,13R,13aR)-13,13a-Dihydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,9,10,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,9-diyl-diacetat [German] [ACD/IUPAC Name]
Benzo[4,5]cyclodeca[1,2-b]furan-2(1H)-one, 8,9-bis(acetyloxy)-3a,6,7,8,8a,9,10,12a,13,13a-decahydro-13,13a-dihydroxy-1,5,8a,12-tetramethyl-, (1R,3aS,4Z,8R,8aS,9S,12aS,13R,13aR)- [ACD/Index Name]
Diacétate de (1R,3aS,4Z,8R,8aS,9S,12aS,13R,13aR)-13,13a-dihydroxy-1,5,8a,12-tétraméthyl-2-oxo-1,2,3a,6,7,8,8a,9,10,12a,13,13a-dodécahydrobenzo[4,5]cyclodéca[1,2-b]furane-8,9-diyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463127/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 567.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 186.1±23.6 °C
Index of Refraction: 1.551
Molar Refractivity: 114.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.80
ACD/KOC (pH 5.5): 673.92
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.80
ACD/KOC (pH 7.4): 673.90
Polar Surface Area: 119 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 360.2±5.0 cm3

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