ChemSpider 2D Image | (2Z,4S,4aR,5aS,9E,9aR,9bR)-4,4a,8-Trihydroxy-2,9-bis[(2E,4E)-1-hydroxy-2,4-hexadien-1-ylidene]-4,5a,7,9b-tetramethyl-3,4,4a,9,9a,9b-hexahydrodibenzo[b,d]furan-1,6(2H,5aH)-dione | C28H34O8

(2Z,4S,4aR,5aS,9E,9aR,9bR)-4,4a,8-Trihydroxy-2,9-bis[(2E,4E)-1-hydroxy-2,4-hexadien-1-ylidene]-4,5a,7,9b-tetramethyl-3,4,4a,9,9a,9b-hexahydrodibenzo[b,d]furan-1,6(2H,5aH)-dione

  • Molecular FormulaC28H34O8
  • Average mass498.565 Da
  • Monoisotopic mass498.225372 Da
  • ChemSpider ID68026917

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2Z,4S,4aR,5aS,9E,9aR,9bR)-4,4a,8-Trihydroxy-2,9-bis[(2E,4E)-1-hydroxy-2,4-hexadien-1-yliden]-4,5a,7,9b-tetramethyl-3,4,4a,9,9a,9b-hexahydrodibenzo[b,d]furan-1,6(2H,5aH)-dion [German] [ACD/IUPAC Name]
(2Z,4S,4aR,5aS,9E,9aR,9bR)-4,4a,8-Trihydroxy-2,9-bis[(2E,4E)-1-hydroxy-2,4-hexadien-1-ylidene]-4,5a,7,9b-tetramethyl-3,4,4a,9,9a,9b-hexahydrodibenzo[b,d]furan-1,6(2H,5aH)-dione [ACD/IUPAC Name]
(2Z,4S,4aR,5aS,9E,9aR,9bR)-4,4a,8-Trihydroxy-2,9-bis[(2E,4E)-1-hydroxy-2,4-hexadién-1-ylidène]-4,5a,7,9b-tétraméthyl-3,4,4a,9,9a,9b-hexahydrodibenzo[b,d]furane-1,6(2H,5aH)-dione [French] [ACD/IUPAC Name]
1,6(2H,5aH)-Dibenzofurandione, 3,4,4a,9,9a,9b-hexahydro-4,4a,8-trihydroxy-2,9-bis[(2E,4E)-1-hydroxy-2,4-hexadien-1-ylidene]-4,5a,7,9b-tetramethyl-, (2Z,4S,4aR,5aS,9E,9aR,9bR)- [ACD/Index Name]
103804-06-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.2±6.0 kJ/mol
Flash Point: 242.0±26.4 °C
Index of Refraction: 1.641
Molar Refractivity: 134.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 13.02
ACD/KOC (pH 5.5): 100.02
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.74
Polar Surface Area: 145 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 371.9±3.0 cm3

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