Found 1 result

Search term: 78438334 (Found by CSID)
ChemSpider 2D Image | Methyl (4E,6S,8E,10E,12E,14E,16E,18E,20R,21R)-6,20-dihydroxy-4,18-dimethyl-21-[(2S,4R,8S,10Z,12E,15S,16R,17S,18S,19R,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,17,19-trimethyl-22-oxooxacyclodocosa-10,1 2-dien-2-yl]-4,8,10,12,14,16,18-docosaheptaenoate | C50H78O11

Methyl (4E,6S,8E,10E,12E,14E,16E,18E,20R,21R)-6,20-dihydroxy-4,18-dimethyl-21-[(2S,4R,8S,10Z,12E,15S,16R,17S,18S,19R,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,17,19-trimethyl-22-oxooxacyclodocosa-10,1 2-dien-2-yl]-4,8,10,12,14,16,18-docosaheptaenoate

  • Molecular FormulaC50H78O11
  • Average mass855.148 Da
  • Monoisotopic mass854.554443 Da
  • ChemSpider ID78438334

  • 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

(4E,6S,8E,10E,12E,14E,16E,18E,20R,21R)-6,20-Dihydroxy-4,18-diméthyl-21-[(2S,4R,8S,10Z,12E,15S,16R,17S,18S,19R,20R)-4,16,18,20-tétrahydroxy-8-méthoxy-15,17,19-triméthyl-22-oxooxacyclodocosa-10,12-dién- 2-yl]-4,8,10,12,14,16,18-docosaheptaénoate de méthyle [French] [ACD/IUPAC Name]
4,8,10,12,14,16,18-Docosaheptaenoic acid, 6,20-dihydroxy-4,18-dimethyl-21-[(2S,4R,8S,10Z,12E,15S,16R,17S,18S,19R,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,17,19-trimethyl-22-oxooxacyclodocosa-10,12-di en-2-yl]-, methyl ester, (4E,6S,8E,10E,12E,14E,16E,18E,20R,21R)- [ACD/Index Name]
Methyl (4E,6S,8E,10E,12E,14E,16E,18E,20R,21R)-6,20-dihydroxy-4,18-dimethyl-21-[(2S,4R,8S,10Z,12E,15S,16R,17S,18S,19R,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,17,19-trimethyl-22-oxooxacyclodocosa-10,1 2-dien-2-yl]-4,8,10,12,14,16,18-docosaheptaenoate [ACD/IUPAC Name]
Methyl-(4E,6S,8E,10E,12E,14E,16E,18E,20R,21R)-6,20-dihydroxy-4,18-dimethyl-21-[(2S,4R,8S,10Z,12E,15S,16R,17S,18S,19R,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,17,19-trimethyl-22-oxooxacyclodocosa-10,1 2-dien-2-yl]-4,8,10,12,14,16,18-docosaheptaenoat [German] [ACD/IUPAC Name]
Etnangien methyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 960.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.6±6.0 kJ/mol
Flash Point: 267.0±27.8 °C
Index of Refraction: 1.555
Molar Refractivity: 244.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21379.59
ACD/KOC (pH 5.5): 43752.14
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21379.57
ACD/KOC (pH 7.4): 43752.09
Polar Surface Area: 183 Å2
Polarizability: 97.0±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 762.5±5.0 cm3

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