ChemSpider 2D Image | Harrisonin | C27H32O10

Harrisonin

  • Molecular FormulaC27H32O10
  • Average mass516.537 Da
  • Monoisotopic mass516.199524 Da
  • ChemSpider ID4444688

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2Z)-3-[(3S,3aS,5aR,6R,6aR,9aS,9bR,9cR,10aS)-3-(3-Furyl)-6a,9a-dihydroxy-3a,6,8,8,9b-pentaméthyl-1,7-dioxododécahydro-3H-furo[3',2':4,5]cyclopenta[1,2-f]oxiréno[d]isochromén-6-yl]acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[(3S,3aS,5aR,6R,6aR,9aS,9bR,9cR,10aS)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo[3',2':2,3]indeno[5,4-c]oxireno[d]pyran-6-yl]-, methyl ester , (2Z)- [ACD/Index Name]
62026-30-6 [RN]
Harrisonin
Methyl (2Z)-3-[(3S,3aS,5aR,6R,6aR,9aS,9bR,9cR,10aS)-3-(3-furyl)-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxododecahydro-3H-furo[3',2':4,5]cyclopenta[1,2-f]oxireno[d]isochromen-6-yl]acrylate [ACD/IUPAC Name]
Methyl-(2Z)-3-[(3S,3aS,5aR,6R,6aR,9aS,9bR,9cR,10aS)-3-(3-furyl)-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxododecahydro-3H-furo[3',2':4,5]cyclopenta[1,2-f]oxireno[d]isochromen-6-yl]acrylat [German] [ACD/IUPAC Name]

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

C08766 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 648.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 345.9±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 125.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.13
ACD/KOC (pH 5.5): 231.73
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.13
ACD/KOC (pH 7.4): 231.58
Polar Surface Area: 145 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 360.5±5.0 cm3

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