ChemSpider 2D Image | 8-Acetoxy-8a-(acetoxymethyl)-5-[2-hydroxy-2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl (2E)-2-methyl-2-butenoate | C29H40O10

8-Acetoxy-8a-(acetoxymethyl)-5-[2-hydroxy-2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC29H40O10
  • Average mass548.622 Da
  • Monoisotopic mass548.262146 Da
  • ChemSpider ID4900626

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Méthyl-2-buténoate de 8-acétoxy-8a-(acétoxyméthyl)-5-[2-hydroxy-2-(5-oxo-2,5-dihydro-3-furanyl)éthyl]-5,6-diméthyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, 8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[2-(2,5-dihydro-5-oxo-3-furanyl)-2-hydroxyethyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-4-yl ester, (2E)- [ACD/Index Name]
8-Acetoxy-8a-(acetoxymethyl)-5-[2-hydroxy-2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
8-Acetoxy-8a-(acetoxymethyl)-5-[2-hydroxy-2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
Ajugamarin A 1

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

AIDS132864 [DBID]
AIDS-132864 [DBID]
NSC627646 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 663.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±6.0 kJ/mol
Flash Point: 210.6±25.0 °C
Index of Refraction: 1.551
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.33
ACD/KOC (pH 5.5): 1246.74
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.33
ACD/KOC (pH 7.4): 1246.74
Polar Surface Area: 138 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 433.1±5.0 cm3

Click to predict properties on the Chemicalize site


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