ChemSpider 2D Image | (1S,3S,5Z,7R,8E,13Z,15S,17R,21R,23R,25S)-21-Hydroxy-17-[(1R)-1-hydroxyethyl]-1-methoxy-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.1~3,7~.1 ~11,15~]nonacosa-8,11-dien-25-yl 2,2-dimethylpropanoate | C43H64O14

(1S,3S,5Z,7R,8E,13Z,15S,17R,21R,23R,25S)-21-Hydroxy-17-[(1R)-1-hydroxyethyl]-1-methoxy-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.1 11,15]nonacosa-8,11-dien-25-yl 2,2-dimethylpropanoate

  • Molecular FormulaC43H64O14
  • Average mass804.960 Da
  • Monoisotopic mass804.429626 Da
  • ChemSpider ID35516977

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,3S,5Z,7R,8E,13Z,15S,17R,21R,23R,25S)-21-Hydroxy-17-[(1R)-1-hydroxyethyl]-1-methoxy-5,13-bis(2-methoxy-2-oxoethyliden)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.1 11,15]nonacosa-8,11-dien-25-yl-2,2-dimethylpropanoat [German] [ACD/IUPAC Name]
(1S,3S,5Z,7R,8E,13Z,15S,17R,21R,23R,25S)-21-Hydroxy-17-[(1R)-1-hydroxyethyl]-1-methoxy-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.1 11,15]nonacosa-8,11-dien-25-yl 2,2-dimethylpropanoate [ACD/IUPAC Name]
2,2-Diméthylpropanoate de (1S,3S,5Z,7R,8E,13Z,15S,17R,21R,23R,25S)-21-hydroxy-17-[(1R)-1-hydroxyéthyl]-1-méthoxy-5,13-bis(2-méthoxy-2-oxoéthylidène)-10,10,26,26-tétraméthyl-19-oxo-18,27,28,29-tétraoxa ;tétracyclo[21.3.1.13,7.111,15]nonacosa-8,11-dién-25-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (1S,3S,5Z,7R,8E,13Z,15S,17R,21R,23R,25S)-21-hydroxy-17-[(1R)-1-hydroxyethyl]-1-methoxy-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tet ;raoxatetracyclo[21.3.1.13,7.111,15]nonacosa-8,11-dien-25-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 861.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.2±6.0 kJ/mol
Flash Point: 247.8±27.8 °C
Index of Refraction: 1.546
Molar Refractivity: 209.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1399.40
ACD/KOC (pH 5.5): 6215.33
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1399.40
ACD/KOC (pH 7.4): 6215.33
Polar Surface Area: 183 Å2
Polarizability: 83.0±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 660.8±5.0 cm3

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