ChemSpider 2D Image | 17-defurano-17-oxosalannin | C30H40O9

17-defurano-17-oxosalannin

  • Molecular FormulaC30H40O9
  • Average mass544.633 Da
  • Monoisotopic mass544.267212 Da
  • ChemSpider ID30785535

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2aR,3R,5S,5aR,6R,6aR,9aR,10aS,10bR,10cR)-3-Acetoxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-8-oxo-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3 -d]furan-5-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(2aR,3R,5S,5aR,6R,6aR,9aR,10aS,10bR,10cR)-3-Acetoxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-8-oxo-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3 -d]furan-5-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(2E)-2-Méthyl-2-buténoate de (2aR,3R,5S,5aR,6R,6aR,9aR,10aS,10bR,10cR)-3-acétoxy-6-(2-méthoxy-2-oxoéthyl)-2a,5a,6a,7-tétraméthyl-8-oxo-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodécahydro-2H,3H-cyclopenta[b] furo[2',3',4':4,5]naphto[2,3-d]furan-5-yle [French] [ACD/IUPAC Name]
1281766-71-9 [RN]
17-defurano-17-oxosalannin
2H,3H-Cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-6-acetic acid, 3-(acetyloxy)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2a,5a,6a,7-tetramethyl-5-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-8-oxo-, me thyl ester, (2aR,3R,5S,5aR,6R,6aR,9aR,10aS,10bR,10cR)- [ACD/Index Name]
(2aR,3R,5S,5aR,6R,6aR,9aR,10aS,10bR,10cR)-3-(acetyloxy)-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-8-oxo-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']di
(2aR,3R,5S,5aR,6R,6aR,9aR,10aS,10bR,10cR)-3-(acetyloxy)-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-8-oxo-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-5-yl (2E)-2-methylbut-2-enoate
furan-5-yl (2E)-2-methylbut-2-enoate
  • Miscellaneous

    • Chemical Class:

      A limonoid that is salannin in which the furanyl group at position 17 is replaced by an oxo group. Isolated from <ital>Azadirachta indica</ital>, it exhibits anti-inflammatory activity. ChEBI CHEBI:67312
      A limonoid that is salannin in which the furanyl group at position 17 is replaced by an oxo group. Isolated from Azadirachta indica, it exhibits anti-inflammatory activity. ChEBI CHEBI:67312

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 255.2±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 371.21
ACD/KOC (pH 5.5): 2404.02
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 371.21
ACD/KOC (pH 7.4): 2404.02
Polar Surface Area: 114 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 434.2±5.0 cm3

Click to predict properties on the Chemicalize site


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