ChemSpider 2D Image | (6R,7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,6,15,17,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(29),2,4,9, 19,21,25,27-octaen-13-yl acetate | C37H49NO12

(6R,7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,6,15,17,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9, 19,21,25,27-octaen-13-yl acetate

  • Molecular FormulaC37H49NO12
  • Average mass699.784 Da
  • Monoisotopic mass699.325500 Da
  • ChemSpider ID35034309

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(6R,7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,6,15,17,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9, 19,21,25,27-octaen-13-yl acetate [ACD/IUPAC Name]
(6R,7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,6,15,17,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9, 19,21,25,27-octaen-13-yl-acetat [German] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-11-one, 21-(acetyloxy)-1,2-dihydro-1,5,6,9,17,19-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, (1R,2S,12Z,14E,16S,17S,18R,19R,20R, 21S,22R,23S,24E)- [ACD/Index Name]
Acétate de (6R,7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,6,15,17,27,29-hexahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-23-oxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta-1 
(29),2,4,9,19,21,25,27-octaén-13-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 851.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 469.0±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 184.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.33
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 6.74
ACD/KOC (pH 5.5): 121.90
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.55
Polar Surface Area: 204 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 515.3±5.0 cm3

Click to predict properties on the Chemicalize site


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