ChemSpider 2D Image | (3aS,4S,5R,6S,8Z,10R,11aR)-5-Acetoxy-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydrocyclodeca[b]furan-4-yl 3-methylbutanoate | C22H30O8

(3aS,4S,5R,6S,8Z,10R,11aR)-5-Acetoxy-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydrocyclodeca[b]furan-4-yl 3-methylbutanoate

  • Molecular FormulaC22H30O8
  • Average mass422.469 Da
  • Monoisotopic mass422.194061 Da
  • ChemSpider ID25059553

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aS,4S,5R,6S,8Z,10R,11aR)-5-Acetoxy-6-hydroxy-6,10-dimethyl-3-methylen-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydrocyclodeca[b]furan-4-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
(3aS,4S,5R,6S,8Z,10R,11aR)-5-Acetoxy-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydrocyclodeca[b]furan-4-yl 3-methylbutanoate [ACD/IUPAC Name]
3-Méthylbutanoate de (3aS,4S,5R,6S,8Z,10R,11aR)-5-acétoxy-6-hydroxy-6,10-diméthyl-3-méthylène-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-décahydrocyclodéca[b]furan-4-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, (3aS,4S,5R,6S,8Z,10R,11aR)-5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester [ACD/Index Name]
(3aS,4S,5R,6S,8Z,10R,11aR)-5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydrocyclodeca[b]furan-4-yl 3-methylbutanoate
Neurolenin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 187.9±23.6 °C
Index of Refraction: 1.523
Molar Refractivity: 106.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.61
ACD/KOC (pH 5.5): 314.03
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.61
ACD/KOC (pH 7.4): 314.02
Polar Surface Area: 116 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 348.0±5.0 cm3

Click to predict properties on the Chemicalize site


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