ChemSpider 2D Image | chaetomugilin B | C24H29ClO7

chaetomugilin B

  • Molecular FormulaC24H29ClO7
  • Average mass464.936 Da
  • Monoisotopic mass464.160187 Da
  • ChemSpider ID27023801

  • 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

(6aS,7aR,8R,9R,11aR,11bS)-5-Chlor-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-7a-methoxy-6a,8,9-trimethyl-6a,7a,8,9,11a,11b-hexahydro-6H,11H-pyrano[3',4':4,5]furo[2,3-h]isochromen-6,11-dion [German] [ACD/IUPAC Name]
(6aS,7aR,8R,9R,11aR,11bS)-5-Chloro-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-7a-methoxy-6a,8,9-trimethyl-6a,7a,8,9,11a,11b-hexahydro-6H,11H-pyrano[3',4':4,5]furo[2,3-h]isochromene-6,11-dione [ACD/IUPAC Name]
(6aS,7aR,8R,9R,11aR,11bS)-5-Chloro-3-[(1E,3R,4R)-4-hydroxy-3-méthyl-1-pentén-1-yl]-7a-méthoxy-6a,8,9-triméthyl-6a,7a,8,9,11a,11b-hexahydro-6H,11H-pyrano[3',4':4,5]furo[2,3-h]isochromène-6,11-dione [French] [ACD/IUPAC Name]
6H,11H-Pyrano[3',4':4,5]furo[2,3-h]-2-benzopyran-6,11-dione, 5-chloro-6a,7a,8,9,11a,11b-hexahydro-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-7a-methoxy-6a,8,9-trimethyl-, (6aS,7aR,8R,9R,11aR,11bS )- [ACD/Index Name]
chaetomugilin B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 619.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.2±6.0 kJ/mol
Flash Point: 328.3±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.55
ACD/KOC (pH 5.5): 270.57
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.55
ACD/KOC (pH 7.4): 270.57
Polar Surface Area: 91 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 350.9±5.0 cm3

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