ChemSpider 2D Image | (3R)-3-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-5,10a-dihydroxy-3,6,9-trimethyl-6b-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-6b,10a-dihydro-3H-[1]benzofuro[2,3-f]chromene-7,10-dione | C44H58O6

(3R)-3-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-5,10a-dihydroxy-3,6,9-trimethyl-6b-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-6b,10a-dihydro-3H-[1]benzofuro[2,3-f]chromene-7,10-dione

  • Molecular FormulaC44H58O6
  • Average mass682.928 Da
  • Monoisotopic mass682.423340 Da
  • ChemSpider ID29417225

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(3R)-3-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-5,10a-dihydroxy-3,6,9-trimethyl-6b-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-6b,10a-dihydro-3H-[1]benzofuro[2,3-f]chromen-7,10-dion [German] [ACD/IUPAC Name]
(3R)-3-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-5,10a-dihydroxy-3,6,9-trimethyl-6b-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-6b,10a-dihydro-3H-[1]benzofuro[2,3-f]chromene-7,10-dione [ACD/IUPAC Name]
(3R)-3-[(3E)-4,8-Diméthyl-3,7-nonadién-1-yl]-5,10a-dihydroxy-3,6,9-triméthyl-6b-[(2E,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-6b,10a-dihydro-3H-[1]benzofuro[2,3-f]chromène-7,10-dione [French] [ACD/IUPAC Name]
3H-Benzofuro[2,3-f][1]benzopyran-7,10-dione, 3-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-6b,10a-dihydro-5,10a-dihydroxy-3,6,9-trimethyl-6b-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-, (3R)- [ACD/Index Name]
Albatrelin F

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

Density: 1.1±0.1 g/cm3
Boiling Point: 778.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 226.3±26.4 °C
Index of Refraction: 1.565
Molar Refractivity: 202.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 12.64
ACD/LogD (pH 5.5): 10.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 93 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 622.0±3.0 cm3

Click to predict properties on the Chemicalize site


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