ChemSpider 2D Image | (5S,6R,7S)-1,2,3,13-Tetramethoxy-6,7-dimethyl-5-phenoxy-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-6-ol | C29H32O8

(5S,6R,7S)-1,2,3,13-Tetramethoxy-6,7-dimethyl-5-phenoxy-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-6-ol

  • Molecular FormulaC29H32O8
  • Average mass508.560 Da
  • Monoisotopic mass508.209717 Da
  • ChemSpider ID4476546

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,6R,7S)-1,2,3,13-Tetramethoxy-6,7-dimethyl-5-phenoxy-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-6-ol [ACD/IUPAC Name]
(5S,6R,7S)-1,2,3,13-Tetramethoxy-6,7-dimethyl-5-phenoxy-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-6-ol [German] [ACD/IUPAC Name]
(5S,6R,7S)-1,2,3,13-Tétraméthoxy-6,7-diméthyl-5-phénoxy-5,6,7,8-tétrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-6-ol [French] [ACD/IUPAC Name]
Benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-6-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-5-phenoxy-, (5S,6R,7S)- [ACD/Index Name]
Gomisin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 350.1±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2041.67
ACD/KOC (pH 5.5): 8144.86
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2041.67
ACD/KOC (pH 7.4): 8144.86
Polar Surface Area: 85 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 413.6±3.0 cm3

Click to predict properties on the Chemicalize site


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