ChemSpider 2D Image | Deacetylsalannin | C32H42O8

Deacetylsalannin

  • Molecular FormulaC32H42O8
  • Average mass554.671 Da
  • Monoisotopic mass554.287964 Da
  • ChemSpider ID21182789

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-8-(3-Furyl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]na phtho[2,3-d]furan-5-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-8-(3-Furyl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]na phtho[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,8R,9aR,10aS,10bR,10cR)-8-(3-furyl)-3-hydroxy-6-(2-méthoxy-2-oxoéthyl)-2a,5a,6a,7-tétraméthyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodécahydro-2H,3H-cycl openta[b]furo[2',3',4':4,5]naphto[2,3-d]furan-5-yle [French] [ACD/IUPAC Name]
1110-56-1 [RN]
2H,3H-Cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-6-acetic acid, 8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]- , methyl ester, (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)- [ACD/Index Name]
3-Deacetylsalannin
Deacetylsalannin
(2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-8-(furan-3-yl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8
(2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-8-(furan-3-yl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-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
[1110-56-1] [RN]
More...
  • Miscellaneous

    • Chemical Class:

      A limonoid that is salannin in which the acetyloxy group at position 6 is replaced by a hydroxy group. It has been isolated from <ital>Azadirachta indica</ital>. ChEBI CHEBI:67311
      A limonoid that is salannin in which the acetyloxy group at position 6 is replaced by a hydroxy group. It has been isolated from Azadirachta indica. ChEBI CHEBI:67311

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

Density: 1.3±0.1 g/cm3
Boiling Point: 628.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.6±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3094.24
ACD/KOC (pH 5.5): 10968.15
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3094.24
ACD/KOC (pH 7.4): 10968.15
Polar Surface Area: 104 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 441.2±5.0 cm3

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