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Search term: 58197314 (Found by CSID)
ChemSpider 2D Image | (1S,9S,10S,11S,20R)-9-Chloro-6-hydroxy-10,20-dimethoxy-2,12,21-trioxahexacyclo[9.9.1.1~1,13~.1~3,7~.0~11,23~.0~17,22~]tricosa-3(23),4,6,13(22),14,16-hexaene-8,18-dione | C22H17ClO8

(1S,9S,10S,11S,20R)-9-Chloro-6-hydroxy-10,20-dimethoxy-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3(23),4,6,13(22),14,16-hexaene-8,18-dione

  • Molecular FormulaC22H17ClO8
  • Average mass444.819 Da
  • Monoisotopic mass444.061188 Da
  • ChemSpider ID58197314

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,9S,10S,11S,20R)-9-Chlor-6-hydroxy-10,20-dimethoxy-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3(23),4,6,13(22),14,16-hexaen-8,18-dion [German] [ACD/IUPAC Name]
(1S,9S,10S,11S,20R)-9-Chloro-6-hydroxy-10,20-dimethoxy-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3(23),4,6,13(22),14,16-hexaene-8,18-dione [ACD/IUPAC Name]
(1S,9S,10S,11S,20R)-9-Chloro-6-hydroxy-10,20-diméthoxy-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3(23),4,6,13(22),14,16-hexaène-8,18-dione [French] [ACD/IUPAC Name]
4H,11H-6a,13a-Epoxydinaphtho[1,8-bc:1',8'-fg][1,5]dioxocin-4,11-dione, 5-chloro-5,6,12,13-tetrahydro-3-hydroxy-6,13-dimethoxy-, (5S,6S,6aS,13R,13aS)- [ACD/Index Name]
Chloropreussomerin B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 733.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 397.4±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 104.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1631.66
ACD/KOC (pH 5.5): 6924.51
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1079.20
ACD/KOC (pH 7.4): 4579.96
Polar Surface Area: 101 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 77.6±5.0 dyne/cm
Molar Volume: 271.5±5.0 cm3

Click to predict properties on the Chemicalize site


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