ChemSpider 2D Image | (1S,3S,4S,5R,6R,7R)-1-{(4S,5R)-4-[Acetyl(~18~O)oxy]-5-methyl-3-methylene-6-phenylhexyl}-6-{[(2E,4S,6S)-4,6-dimethyl-2-octenoyl](~18~O)oxy}-4-hydroxy-7-(~18~O)hydroxy(~18~O_2_)-2,8-dioxabicyclo[3.2.1]o ctane-3,4,5-tricarboxylic acid | C35H46O918O5

(1S,3S,4S,5R,6R,7R)-1-{(4S,5R)-4-[Acetyl(18O)oxy]-5-methyl-3-methylene-6-phenylhexyl}-6-{[(2E,4S,6S)-4,6-dimethyl-2-octenoyl](18O)oxy}-4-hydroxy-7-(18O)hydroxy(18O2)-2,8-dioxabicyclo[3.2.1]o ctane-3,4,5-tricarboxylic acid

  • Molecular FormulaC35H46O918O5
  • Average mass700.730 Da
  • Monoisotopic mass700.309998 Da
  • ChemSpider ID8502846

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S,3S,4S,5R,6R,7R)-1-{(4S,5R)-4-[Acetyl(18O)oxy]-5-methyl-3-methylen-6-phenylhexyl}-6-{[(2E,4S,6S)-4,6-dimethyl-2-octenoyl](18O)oxy}-4-hydroxy-7-(18O)hydroxy(18O2)-2,8-dioxabicyclo[3.2.1]oc tan-3,4,5-tricarbonsäure [German] [ACD/IUPAC Name]
(1S,3S,4S,5R,6R,7R)-1-{(4S,5R)-4-[Acetyl(18O)oxy]-5-methyl-3-methylene-6-phenylhexyl}-6-{[(2E,4S,6S)-4,6-dimethyl-2-octenoyl](18O)oxy}-4-hydroxy-7-(18O)hydroxy(18O2)-2,8-dioxabicyclo[3.2.1]o ctane-3,4,5-tricarboxylic acid [ACD/IUPAC Name]
Acide (1S,3S,4S,5R,6R,7R)-1-{(4S,5R)-4-[acétyl(18O)oxy]-5-méthyl-3-méthylène-6-phénylhexyl}-6-{[(2E,4S,6S)-4,6-diméthyl-2-octenoyl](18O)oxy}-4-hydroxy-7-(18O)hydroxy(18O2)-2,8-dioxabicyclo[3 .2.1]octane-3,4,5-tricarboxylique [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.585
Molar Refractivity: 171.5±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 511.5±5.0 cm3

Click to predict properties on the Chemicalize site


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