ChemSpider 2D Image | (6R,7R,8R)-1-Hydroxy-2,3,13-trimethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl benzoate | C29H30O8

(6R,7R,8R)-1-Hydroxy-2,3,13-trimethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl benzoate

  • Molecular FormulaC29H30O8
  • Average mass506.544 Da
  • Monoisotopic mass506.194061 Da
  • ChemSpider ID9715474

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6R,7R,8R)-1-Hydroxy-2,3,13-trimethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl benzoate [ACD/IUPAC Name]
(6R,7R,8R)-1-Hydroxy-2,3,13-trimethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl-benzoat [German] [ACD/IUPAC Name]
Benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole-1,8-diol, 5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-, 8-benzoate, (6R,7R,8R)- [ACD/Index Name]
Benzoate de (6R,7R,8R)-1-hydroxy-2,3,13-triméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yle [French] [ACD/IUPAC Name]
Benzoyl binankadsurin A
Longepidunin C
Longipedunin C

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

AIDS347660 [DBID]
AIDS-347660 [DBID]
AIDS347661 [DBID]
AIDS-347661 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 660.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 217.0±25.0 °C
Index of Refraction: 1.630
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8167.42
ACD/KOC (pH 5.5): 21968.35
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7851.21
ACD/KOC (pH 7.4): 21117.83
Polar Surface Area: 93 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 379.3±5.0 cm3

Click to predict properties on the Chemicalize site


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