ChemSpider 2D Image | (1S,17R,18S,19R)-9,12,13,14-Tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.0~2,10~.0~4,8~.0~11,16~]icosa-2(10),3,8,11,13,15-hexaene | C23H26O7

(1S,17R,18S,19R)-9,12,13,14-Tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2(10),3,8,11,13,15-hexaene

  • Molecular FormulaC23H26O7
  • Average mass414.448 Da
  • Monoisotopic mass414.167847 Da
  • ChemSpider ID23340641

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,17R,18S,19R)-9,12,13,14-Tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2(10),3,8,11,13,15-hexaen [German] [ACD/IUPAC Name]
(1S,17R,18S,19R)-9,12,13,14-Tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2(10),3,8,11,13,15-hexaene [ACD/IUPAC Name]
(1S,17R,18S,19R)-9,12,13,14-Tétraméthoxy-18,19-diméthyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2(10),3,8,11,13,15-hexaène [French] [ACD/IUPAC Name]
5,8-Epoxybenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (5R,6S,7R,8S)- [ACD/Index Name]
(5R,6S,7R,8S)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydro-5,8-epoxybenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL464848/
kadsulignan L

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

Density: 1.2±0.1 g/cm3
Boiling Point: 538.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 218.1±30.0 °C
Index of Refraction: 1.561
Molar Refractivity: 109.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 687.68
ACD/KOC (pH 5.5): 3737.69
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 687.68
ACD/KOC (pH 7.4): 3737.69
Polar Surface Area: 65 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 338.5±3.0 cm3

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