ChemSpider 2D Image | MANASSANTIN B | C41H48O11

MANASSANTIN B

  • Molecular FormulaC41H48O11
  • Average mass716.813 Da
  • Monoisotopic mass716.319641 Da
  • ChemSpider ID8615249

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R)-1-(1,3-Benzodioxol-5-yl)-2-{4-[(2S,3R,4R,5S)-5-(4-{[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-hydroxy-2-propanyl]oxy}-3-methoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenoxy}-1-propanol [German] [ACD/IUPAC Name]
(1R,2R)-1-(1,3-Benzodioxol-5-yl)-2-{4-[(2S,3R,4R,5S)-5-(4-{[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-hydroxy-2-propanyl]oxy}-3-methoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenoxy}-1-propanol [ACD/IUPAC Name]
(1R,2R)-1-(1,3-Benzodioxol-5-yl)-2-{4-[(2S,3R,4R,5S)-5-(4-{[(1R,2R)-1-(3,4-diméthoxyphényl)-1-hydroxy-2-propanyl]oxy}-3-méthoxyphényl)-3,4-diméthyltétrahydro-2-furanyl]-2-méthoxyphénoxy}-1-propanol [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-methanol, α-[(1R)-1-[4-[(2S,3R,4R,5S)-5-[4-[[(1R,2R)-2-(3,4-dimethoxyphenyl)-2-hydroxy-1-methylethyl]oxy]-3-methoxyphenyl]tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenoxy]eth yl]-, (αR)- [ACD/Index Name]
MANASSANTIN B
(1R,2R)-1-(1,3-benzodioxol-5-yl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol
(1R,2R)-1-(1,3-benzodioxol-5-yl)-2-{4-[(2S,3R,4R,5S)-5-(4-{[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyltetrahydrofuran-2-yl]-2-methoxyphenoxy}propan-1-ol
(1R,2R)-1-(Benzo[d][1,3]dioxol-5-yl)-2-(4-((2S,3R,4R,5S)-5-(4-(((1R,2R)-1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl)oxy)-3-methoxyphenyl)-3,4-dimethyltetrahydrofuran-2-yl)-2-methoxyphenoxy)propan-1-ol
(7R,7\"'R,8R,8\"'R)-(7'S*,7\"S*,8'R*,8\"R*)-7,7\"'-dihydroxy-3,3',3\",4-tetramethoxy-3\"',4\"'-methylenedioxy-7',7\"-epoxy-8,4':4\",8\"'-bisoxy-8',8\"-dineolignane
1,3-benzodioxole-5-methanol, α-[(1R)-1-[4-[(2S,3R,4R,5S)-5-[4-[[(1R,2R)-2-(3,4-dimethoxyphenyl)-2-hydroxy-1-methylethyl]oxy]-3-methoxyphenyl]tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenoxy]ethyl]-, (αR)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 831.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.6±3.0 kJ/mol
Flash Point: 456.4±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 195.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2630.69
ACD/KOC (pH 5.5): 9765.21
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2630.69
ACD/KOC (pH 7.4): 9765.19
Polar Surface Area: 124 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 588.0±3.0 cm3

Click to predict properties on the Chemicalize site


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