ChemSpider 2D Image | Nimbolinin D | C36H44O9

Nimbolinin D

  • Molecular FormulaC36H44O9
  • Average mass620.729 Da
  • Monoisotopic mass620.298523 Da
  • ChemSpider ID9016869
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(2R,3aS,5R,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)-9-Acetoxy-2-(3-furyl)-7-hydroxy-5-methoxy-1,6b,9a,12a-tetramethyl-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-2H,5H-cyclopenta[b]furo[2',3', 4':4,5]naphtho[2,1-d]oxepin-12-yl benzoate [ACD/IUPAC Name]
(2R,3aS,5R,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)-9-Acetoxy-2-(3-furyl)-7-hydroxy-5-methoxy-1,6b,9a,12a-tetramethyl-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-2H,5H-cyclopenta[b]furo[2',3', 4':4,5]naphtho[2,1-d]oxepin-12-yl-benzoat [German] [ACD/IUPAC Name]
2H,5H-Cyclopenta[b]furo[2',3',4':4,5]naphth[2,1-d]oxepin-7,9,12-triol, 2-(3-furanyl)-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-5-methoxy-1,6b,9a,12a-tetramethyl-, 9-acetate 12-benzoate, ( 2R,3aS,5R,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)- [ACD/Index Name]
Benzoate de (2R,3aS,5R,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)-9-acétoxy-2-(3-furyl)-7-hydroxy-5-méthoxy-1,6b,9a,12a-tétraméthyl-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tétradécahydro-2H,5H-cyclopenta[b ]furo[2',3',4':4,5]naphto[2,1-d]oxépin-12-yle [French] [ACD/IUPAC Name]
Nimbolinin D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 684.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 367.5±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1534.78
ACD/KOC (pH 5.5): 6640.02
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1534.78
ACD/KOC (pH 7.4): 6640.02
Polar Surface Area: 114 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 480.5±5.0 cm3

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