Found 13 results

Search term: MF = 'C_{33}H_{35}ClO_{11}'
ChemSpider 2D Image | (2R,4a'S,5'Z,8a'R)-3'-Chloro-5'-[(1R,2R,5S,6S)-2,5-dihydroxy-1-(3-methyl-2-buten-1-yl)-7-oxabicyclo[4.1.0]hept-3-ylidene]-8a'-glycoloyl-5-hydroxy-4'-methoxy-7,7'-dimethyl-4a',5',8',8a'-tetrahydro-2'H, 4H-spiro[1,3-benzodioxine-2,1'-naphthalene]-2',4-dione | C33H35ClO11

(2R,4a'S,5'Z,8a'R)-3'-Chloro-5'-[(1R,2R,5S,6S)-2,5-dihydroxy-1-(3-methyl-2-buten-1-yl)-7-oxabicyclo[4.1.0]hept-3-ylidene]-8a'-glycoloyl-5-hydroxy-4'-methoxy-7,7'-dimethyl-4a',5',8',8a'-tetrahydro-2'H, 4H-spiro[1,3-benzodioxine-2,1'-naphthalene]-2',4-dione

  • Molecular FormulaC33H35ClO11
  • Average mass643.077 Da
  • Monoisotopic mass642.186768 Da
  • ChemSpider ID78438566

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,4a'S,5'Z,8a'R)-3'-Chlor-5'-[(1R,2R,5S,6S)-2,5-dihydroxy-1-(3-methyl-2-buten-1-yl)-7-oxabicyclo[4.1.0]hept-3-yliden]-8a'-glycoloyl-5-hydroxy-4'-methoxy-7,7'-dimethyl-4a',5',8',8a'-tetrahydro-2'H,4H -spiro[1,3-benzodioxine-2,1'-naphthalene]-2',4-dion [German] [ACD/IUPAC Name]
(2R,4a'S,5'Z,8a'R)-3'-Chloro-5'-[(1R,2R,5S,6S)-2,5-dihydroxy-1-(3-méthyl-2-butén-1-yl)-7-oxabicyclo[4.1.0]hept-3-ylidène]-5-hydroxy-8a'-(2-hydroxyacétyl)-4'-méthoxy-7,7'-diméthyl-4a',5',8',8a'-tétrahy dro-2'H,4H-spiro[1,3-benzodioxine-2,1'-naphthalene]-2',4-dione [French] [ACD/IUPAC Name]
(2R,4a'S,5'Z,8a'R)-3'-Chloro-5'-[(1R,2R,5S,6S)-2,5-dihydroxy-1-(3-methyl-2-buten-1-yl)-7-oxabicyclo[4.1.0]hept-3-ylidene]-8a'-glycoloyl-5-hydroxy-4'-methoxy-7,7'-dimethyl-4a',5',8',8a'-tetrahydro-2'H, 4H-spiro[1,3-benzodioxine-2,1'-naphthalene]-2',4-dione [ACD/IUPAC Name]
Spiro[4H-1,3-benzodioxin-2,1'(2'H)-naphthalene]-2',4-dione, 3'-chloro-5'-[(1R,2R,5S,6S)-2,5-dihydroxy-1-(3-methyl-2-buten-1-yl)-7-oxabicyclo[4.1.0]hept-3-ylidene]-4'a,5',8',8'a-tetrahydro-5-hydroxy-8' a-(2-hydroxyacetyl)-4'-methoxy-7,7'-dimethyl-, (2R,4a'S,5'Z,8a'R)- [ACD/Index Name]
Chloropestolide E

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

Density: 1.5±0.1 g/cm3
Boiling Point: 922.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.5±3.0 kJ/mol
Flash Point: 511.5±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 158.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10044.35
ACD/KOC (pH 5.5): 25249.44
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 2916.97
ACD/KOC (pH 7.4): 7332.66
Polar Surface Area: 172 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 424.4±5.0 cm3

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