ChemSpider 2D Image | (1R,2R,4R,7R,8R,9R,10S,11R,12R,13S,17S,18R)-10-Hydroxy-1,5,9,18-tetramethyl-15-oxo-16,20-dioxahexacyclo[15.3.2.0~2,13~.0~4,12~.0~7,11~.0~14,19~]docosa-5,14(19)-dien-8-yl acetate | C26H34O6

(1R,2R,4R,7R,8R,9R,10S,11R,12R,13S,17S,18R)-10-Hydroxy-1,5,9,18-tetramethyl-15-oxo-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docosa-5,14(19)-dien-8-yl acetate

  • Molecular FormulaC26H34O6
  • Average mass442.545 Da
  • Monoisotopic mass442.235535 Da
  • ChemSpider ID23314424

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,2R,4R,7R,8R,9R,10S,11R,12R,13S,17S,18R)-10-Hydroxy-1,5,9,18-tetramethyl-15-oxo-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docosa-5,14(19)-dien-8-yl acetate [ACD/IUPAC Name]
(1R,2R,4R,7R,8R,9R,10S,11R,12R,13S,17S,18R)-10-Hydroxy-1,5,9,18-tetramethyl-15-oxo-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docosa-5,14(19)-dien-8-yl-acetat [German] [ACD/IUPAC Name]
(3S,4R,6R,6aR,7aR,9aR,10R,11R,12S,12aR,12bR,12cS)-12-hydroxy-4,6,8,11-tetramethyl-1-oxo-4,6,6a,7,7a,9a,10,11,12,12a,12b,12c-dodecahydro-1H,3H-3,6-ethano-as-indaceno[1,2-d]pyrano[4,3-b]pyran-10-yl acetate
3,6-Ethano-1H,3H-as-indaceno[1,2-d]pyrano[4,3-b]pyran-1-one, 10-(acetyloxy)-4,6,6a,7,7a,9a,10,11,12,12a,12b,12c-dodecahydro-12-hydroxy-4,6,8,11-tetramethyl-, (3S,4R,6R,6aR,7aR,9aR,10R,11R,12S,12aR,12b R,12cS)- [ACD/Index Name]
3,6-ethano-1H,3H-as-indaceno[1,2-d]pyrano[4,3-b]pyran-1-one, 10-(acetyloxy)-4,6,6a,7,7a,9a,10,11,12,12a,12b,12c-dodecahydro-12-hydroxy-4,6,8,11-tetramethyl-, (3S,4R,6R,6aR,7aR,9aR,10R,11R,12S,12aR,12bR,12cS)-
Acétate de (1R,2R,4R,7R,8R,9R,10S,11R,12R,13S,17S,18R)-10-hydroxy-1,5,9,18-tétraméthyl-15-oxo-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docosa-5,14(19)-dién-8-yle [French] [ACD/IUPAC Name]
8-acetylcyclostreptin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL401941/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.5±6.0 kJ/mol
Flash Point: 193.0±23.6 °C
Index of Refraction: 1.589
Molar Refractivity: 116.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 98.10
ACD/KOC (pH 5.5): 927.33
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 98.10
ACD/KOC (pH 7.4): 927.33
Polar Surface Area: 82 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 344.4±5.0 cm3

Click to predict properties on the Chemicalize site


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