ChemSpider 2D Image | (1R,20S,21S,22R)-9,12-Dimethoxy-21,22-dimethyl-5,7,14,16,23-pentaoxahexacyclo[18.2.1.0~2,10~.0~4,8~.0~11,19~.0~13,17~]tricosa-2(10),3,8,11(19),12,17-hexaene | C22H22O7

(1R,20S,21S,22R)-9,12-Dimethoxy-21,22-dimethyl-5,7,14,16,23-pentaoxahexacyclo[18.2.1.02,10.04,8.011,19.013,17]tricosa-2(10),3,8,11(19),12,17-hexaene

  • Molecular FormulaC22H22O7
  • Average mass398.406 Da
  • Monoisotopic mass398.136566 Da
  • ChemSpider ID57256917

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,20S,21S,22R)-9,12-Dimethoxy-21,22-dimethyl-5,7,14,16,23-pentaoxahexacyclo[18.2.1.02,10.04,8.011,19.013,17]tricosa-2(10),3,8,11(19),12,17-hexaen [German] [ACD/IUPAC Name]
(1R,20S,21S,22R)-9,12-Dimethoxy-21,22-dimethyl-5,7,14,16,23-pentaoxahexacyclo[18.2.1.02,10.04,8.011,19.013,17]tricosa-2(10),3,8,11(19),12,17-hexaene [ACD/IUPAC Name]
(1R,20S,21S,22R)-9,12-Diméthoxy-21,22-diméthyl-5,7,14,16,23-pentaoxahexacyclo[18.2.1.02,10.04,8.011,19.013,17]tricosa-2(10),3,8,11(19),12,17-hexaène [French] [ACD/IUPAC Name]
5,8-Epoxy-1,3-benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxole, 5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, (5R,6R,7S,8S)- [ACD/Index Name]
(1R,20S,21S,22R)-9,12-Dimethoxy-21,22-dimethyl-5,7,14,16,23-pentaoxahexacyclo[18.2.1.02,10.04,8.011,19.013,17]tricosa-2,4(8),9,11,13(17),18-hexaene
81345-36-0 [RN]
Schisandrin C epoxide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 536.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 221.8±30.0 °C
Index of Refraction: 1.594
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 857.32
ACD/KOC (pH 5.5): 4376.69
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 857.32
ACD/KOC (pH 7.4): 4376.69
Polar Surface Area: 65 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 301.7±3.0 cm3

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