ChemSpider 2D Image | (3R,3aR,4S,6S,7E,10S,12R,13E,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate | C30H37NO6

(3R,3aR,4S,6S,7E,10S,12R,13E,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate

  • Molecular FormulaC30H37NO6
  • Average mass507.618 Da
  • Monoisotopic mass507.262085 Da
  • ChemSpider ID26404832

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3R,3aR,4S,6S,7E,10S,12R,13E,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylen-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl-acetat [German] [ACD/IUPAC Name]
(3R,3aR,4S,6S,7E,10S,12R,13E,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate [ACD/IUPAC Name]
1H-Cycloundec[d]isoindole-1,11(2H)-dione, 15-(acetyloxy)-3,3a,4,5,6,6a,9,10,12,15-decahydro-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-, (3R,3aR,4S,6S,7E,10S,12R,13E,15R,15aR)- [ACD/Index Name]
Acétate de (3R,3aR,4S,6S,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-triméthyl-5-méthylène-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodécahydro-1H-cycloundéca[d]isoindol-15-yle [French] [ACD/IUPAC Name]
(7S,13E,16S,18R,19E,21R)-21-(Acetyloxy)-7,18-dihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13,19-triene-1,17-dione
[22144-77-0] [RN]
Cytochalasin D
GZ4850000
Toxins, extracted from living sources, solid, n.o.s. (Cytochalasin D)
Zygosporin A
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

UN3462 [DBID]
  • Experimental Physico-chemical Properties

    • Experimental Solubility:

      Soluble to 10 mM in ethanol and to 50 mM in DMSO Tocris Bioscience 1233
      Soluble to 10 mM in ethanol with gentle warming and to 50 mM in DMSO Tocris Bioscience 1233
  • Miscellaneous

    • Bio Activity:

      Actin Tocris Bioscience 1233
      Cytoskeleton and Motor Proteins Tocris Bioscience 1233
      Disrupts actin filament function Tocris Bioscience 1233
      Potent disruptor of actin filament function. Alters tight junction permeability. Unlike cytochalasin B (Cat. No. 5474), does not inhibit monosaccharide transport across the plasma membrane. Tocris Bioscience 1233

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

Density: 1.2±0.1 g/cm3
Boiling Point: 712.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.5±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.87
ACD/KOC (pH 5.5): 821.86
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 82.87
ACD/KOC (pH 7.4): 821.84
Polar Surface Area: 113 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 410.1±5.0 cm3

Click to predict properties on the Chemicalize site


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