ChemSpider 2D Image | (1R,3S,7R,8R,10S,12S,15Z,18R)-12-{(1S,2E)-1-Hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-2-propen-1-yl}-3-methyl-5-methylene-14-oxo-9,13,22-trioxatricyclo[16.3.1.0~8,10~]docosa-15,19-dien-7-yl 
methyl carbonate | C32H44O9

(1R,3S,7R,8R,10S,12S,15Z,18R)-12-{(1S,2E)-1-Hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-2-propen-1-yl}-3-methyl-5-methylene-14-oxo-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-7-yl methyl carbonate

  • Molecular FormulaC32H44O9
  • Average mass572.686 Da
  • Monoisotopic mass572.298523 Da
  • ChemSpider ID23225708
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(1R,3S,7R,8R,10S,12S,15Z,18R)-12-{(1S,2E)-1-Hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-2-propen-1-yl}-3-methyl-5-methylen-14-oxo-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-7-yl-m ethylcarbonat [German] [ACD/IUPAC Name]
(1R,3S,7R,8R,10S,12S,15Z,18R)-12-{(1S,2E)-1-Hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-2-propen-1-yl}-3-methyl-5-methylene-14-oxo-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-7-yl methyl carbonate [ACD/IUPAC Name]
(1R,3S,7R,8R,10S,12S,15Z,18R)-12-{(1S,2E)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-en-1-yl}-3-methyl-5-methylidene-14-oxo-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-7-yl methyl carbonate (non-preferred name)
Carbonate de (1R,3S,7R,8R,10S,12S,15Z,18R)-12-{(1S,2E)-1-hydroxy-3-[(2S)-4-méthyl-3,6-dihydro-2H-pyran-2-yl]-2-propén-1-yl}-3-méthyl-5-méthylène-14-oxo-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15, 
19-dién-7-yle et de méthyle [French] [ACD/IUPAC Name]
Carbonic acid (Z)-(1R,3S,7R,8R,10S,12S,18R)-12-[(E)-(S)-1-hydroxy-3-((S)-4-methyl-3,6-dihydro-2H-pyran-2-yl)-allyl]-3-methyl-5-methylene-14-oxo-9,13,22-trioxa-tricyclo[16.3.1.0*8,10*]docosa-15,19-dien-7-yl ester methyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 743.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.7±6.0 kJ/mol
Flash Point: 234.6±26.4 °C
Index of Refraction: 1.555
Molar Refractivity: 153.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1242.39
ACD/KOC (pH 5.5): 5707.80
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1242.39
ACD/KOC (pH 7.4): 5707.79
Polar Surface Area: 113 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 476.8±5.0 cm3

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