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ChemSpider 2D Image | [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-({5-[(4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-10-{[5-(dimethylamino)-6-methyltetra hydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde | C43H74N2O14

[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-({5-[(4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-10-{[5-(dimethylamino)-6-methyltetra hydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

  • Molecular FormulaC43H74N2O14
  • Average mass843.053 Da
  • Monoisotopic mass842.513977 Da
  • ChemSpider ID4925509

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 19 defined stereocentres

More details:

Date of deprecation: 13:50, Feb 4, 2015
Reason for deprecation: Deprecate record: 12 undefined stereocentres

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-({5-[(4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-10-{[5-(dimethylamino)-6-methyltetra hydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyd [German] [ACD/IUPAC Name]
[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-({5-[(4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-10-{[5-(dimethylamino)-6-methyltetra hydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyd (non-preferred name) [German] [ACD/IUPAC Name]
[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-({5-[(4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-10-{[5-(dimethylamino)-6-methyltetra hydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde [ACD/IUPAC Name]
[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-({5-[(4,5-Dihydroxy-4,6-diméthyltétrahydro-2H-pyran-2-yl)oxy]-4-(diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl}oxy)-10-{[5-(diméthylamino)-6-méthyltétra hydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-méthoxy-9,16-diméthyl-2-oxooxacyclohexadéca-11,13-dién-7-yl]acétaldéhyde [French] [ACD/IUPAC Name]
[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-({5-[(4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-10-{[5-(dimethylamino)-6-methyltetra hydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde (non-preferred name) [ACD/IUPAC Name]
[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-({5-[(4,5-Dihydroxy-4,6-diméthyltétrahydro-2H-pyran-2-yl)oxy]-4-(diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl}oxy)-10-{[5-(diméthylamino)-6-méthyltétra hydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-méthoxy-9,16-diméthyl-2-oxooxacyclohexadéca-11,13-dién-7-yl]acétaldéhyde (non-preferred name) [French] [ACD/IUPAC Name]
[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-({5-[(4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-10-{[5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde (non-preferred name)
[(4R,5S,6S,7R,9R,10R,16R)-6-({5-[(4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-10-{[5-(dimethylamino)-6-methyltetrahydro-2H -pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyd (non-preferred name) [German] [ACD/IUPAC Name]
[(4R,5S,6S,7R,9R,10R,16R)-6-({5-[(4,5-Dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-10-{[5-(dimethylamino)-6-methyltetrahydro-2H -pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde (non-preferred name) [ACD/IUPAC Name]
[(4R,5S,6S,7R,9R,10R,16R)-6-({5-[(4,5-Dihydroxy-4,6-diméthyltétrahydro-2H-pyran-2-yl)oxy]-4-(diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl}oxy)-10-{[5-(diméthylamino)-6-méthyltétrahydro-2H -pyran-2-yl]oxy}-4-hydroxy-5-méthoxy-9,16-diméthyl-2-oxooxacyclohexadéca-11,13-dién-7-yl]acétaldéhyde (non-preferred name) [French] [ACD/IUPAC Name]
More...

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

46745_RIEDEL [DBID]
Prestwick_121 [DBID]
S9132_SIGMA [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 913.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.8±6.0 kJ/mol
Flash Point: 506.4±34.3 °C
Index of Refraction: 1.550
Molar Refractivity: 220.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.06
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.83
Polar Surface Area: 195 Å2
Polarizability: 87.5±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 692.8±5.0 cm3

Click to predict properties on the Chemicalize site


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