ChemSpider 2D Image | (2R,3S,5bR,7R,8S,12bR)-10-Hydroxy-12b-methoxy-2,3,4,7,8,9-hexamethyl-2,3,5b,7,8,12b-hexahydro-5H-furo[3,2-c]pyrano[4,3,2-kl]xanthen-5-one | C24H28O6

(2R,3S,5bR,7R,8S,12bR)-10-Hydroxy-12b-methoxy-2,3,4,7,8,9-hexamethyl-2,3,5b,7,8,12b-hexahydro-5H-furo[3,2-c]pyrano[4,3,2-kl]xanthen-5-one

  • Molecular FormulaC24H28O6
  • Average mass412.475 Da
  • Monoisotopic mass412.188599 Da
  • ChemSpider ID23340846

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3S,5bR,7R,8S,12bR)-10-Hydroxy-12b-methoxy-2,3,4,7,8,9-hexamethyl-2,3,5b,7,8,12b-hexahydro-5H-furo[3,2-c]pyrano[4,3,2-kl]xanthen-5-on [German] [ACD/IUPAC Name]
(2R,3S,5bR,7R,8S,12bR)-10-Hydroxy-12b-methoxy-2,3,4,7,8,9-hexamethyl-2,3,5b,7,8,12b-hexahydro-5H-furo[3,2-c]pyrano[4,3,2-kl]xanthen-5-one [ACD/IUPAC Name]
(2R,3S,5bR,7R,8S,12bR)-10-Hydroxy-12b-méthoxy-2,3,4,7,8,9-hexaméthyl-2,3,5b,7,8,12b-hexahydro-5H-furo[3,2-c]pyrano[4,3,2-kl]xanthén-5-one [French] [ACD/IUPAC Name]
5H-Furo[3,2-c]pyrano[4,3,2-kl]xanthen-5-one, 2,3,5b,7,8,12b-hexahydro-10-hydroxy-12b-methoxy-2,3,4,7,8,9-hexamethyl-, (2R,3S,5bR,7R,8S,12bR)- [ACD/Index Name]
(1R,6S,7R,9R,17S,18R)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0(2,10).0(5,9).0(16,20)]icosa-2(10),4,12(20),13,15-pentaen-3-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458573/
penicitrinol B
  • Miscellaneous

    • Chemical Class:

      A furopyranoxanthene with formula C24H28O6. It is a natural product isolated from the fungus Penicillium citrinum B-57. ChEBI CHEBI:191934

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

Density: 1.3±0.1 g/cm3
Boiling Point: 571.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 195.2±23.6 °C
Index of Refraction: 1.610
Molar Refractivity: 109.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11457.54
ACD/KOC (pH 5.5): 27994.49
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11355.86
ACD/KOC (pH 7.4): 27746.04
Polar Surface Area: 74 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 315.1±5.0 cm3

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