ChemSpider 2D Image | (1E,3E,5S)-4-Methyl-6-methylene-1-[(1R,2R,6S,7R,9R,10R,11R,13E,15R,16S,19S,23R)-10,11,16-trihydroxy-7,14,15,19-tetramethyl-12-methylene-4,18,21-trioxo-3,26,27-trioxatricyclo[21.2.1.1~6,9~]heptacos-13- en-2-yl]-1,3-decadien-5-yl acetate | C43H64O11

(1E,3E,5S)-4-Methyl-6-methylene-1-[(1R,2R,6S,7R,9R,10R,11R,13E,15R,16S,19S,23R)-10,11,16-trihydroxy-7,14,15,19-tetramethyl-12-methylene-4,18,21-trioxo-3,26,27-trioxatricyclo[21.2.1.16,9]heptacos-13- en-2-yl]-1,3-decadien-5-yl acetate

  • Molecular FormulaC43H64O11
  • Average mass756.962 Da
  • Monoisotopic mass756.444885 Da
  • ChemSpider ID29213361

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1E,3E,5S)-4-Methyl-6-methylen-1-[(1R,2R,6S,7R,9R,10R,11R,13E,15R,16S,19S,23R)-10,11,16-trihydroxy-7,14,15,19-tetramethyl-12-methylen-4,18,21-trioxo-3,26,27-trioxatricyclo[21.2.1.16,9]heptacos-13-en -2-yl]-1,3-decadien-5-yl-acetat [German] [ACD/IUPAC Name]
(1E,3E,5S)-4-Methyl-6-methylene-1-[(1R,2R,6S,7R,9R,10R,11R,13E,15R,16S,19S,23R)-10,11,16-trihydroxy-7,14,15,19-tetramethyl-12-methylene-4,18,21-trioxo-3,26,27-trioxatricyclo[21.2.1.16,9]heptacos-13- 
en-2-yl]-1,3-decadien-5-yl acetate [ACD/IUPAC Name]
Acétate de (1E,3E,5S)-4-méthyl-6-méthylène-1-[(1R,2R,6S,7R,9R,10R,11R,13E,15R,16S,19S,23R)-10,11,16-trihydroxy-7,14,15,19-tétraméthyl-12-méthylène-4,18,21-trioxo-3,26,27-trioxatricyclo[21.2.1.16,9]h eptacos-13-én-2-yl]-1,3-décadién-5-yle [French] [ACD/IUPAC Name]
amphidinolide C2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 883.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.9±6.0 kJ/mol
Flash Point: 257.1±27.8 °C
Index of Refraction: 1.543
Molar Refractivity: 205.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1127.72
ACD/KOC (pH 5.5): 5325.55
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1127.72
ACD/KOC (pH 7.4): 5325.55
Polar Surface Area: 166 Å2
Polarizability: 81.3±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 651.2±5.0 cm3

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