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Search term: 81360786 (Found by CSID)
ChemSpider 2D Image | penerpene E | C27H33NO5

penerpene E

  • Molecular FormulaC27H33NO5
  • Average mass451.555 Da
  • Monoisotopic mass451.235870 Da
  • ChemSpider ID81360786

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,3aS,3bS,6aR,6bS,12aS,14aR,15aS)-1,15a-Dihydroxy-2,2,6a,6b-tetramethyl-1,3a,3b,6,6a,6b,7,12,12a,13,14,15a-dodecahydro-2H-furo[3'',2'':2',3'][1]benzofuro[7a',7':6,7]indeno[1,2-b]indol-4(5H)-on [German] [ACD/IUPAC Name]
(1R,3aS,3bS,6aR,6bS,12aS,14aR,15aS)-1,15a-Dihydroxy-2,2,6a,6b-tetramethyl-1,3a,3b,6,6a,6b,7,12,12a,13,14,15a-dodecahydro-2H-furo[3'',2'':2',3'][1]benzofuro[7a',7':6,7]indeno[1,2-b]indol-4(5H)-one [ACD/IUPAC Name]
(1R,3aS,3bS,6aR,6bS,12aS,14aR,15aS)-1,15a-Dihydroxy-2,2,6a,6b-tétraméthyl-1,3a,3b,6,6a,6b,7,12,12a,13,14,15a-dodécahydro-2H-furo[3'',2'':2',3'][1]benzofuro[7a',7':6,7]indéno[1,2-b]indol-4(5H)-one [French] [ACD/IUPAC Name]
2H-Furo[3'',2'':2',3']benzofuro[7a',7':6,7]indeno[1,2-b]indol-4(5H)-one, 1,3a,3b,6,6a,6b,7,12,12a,13,14,15a-dodecahydro-1,15a-dihydroxy-2,2,6a,6b-tetramethyl-, (1R,3aS,3bS,6aR,6bS,12aS,14aR,15aS)- [ACD/Index Name]
penerpene E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 628.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 334.1±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 122.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3032.01
ACD/KOC (pH 5.5): 10809.80
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3031.87
ACD/KOC (pH 7.4): 10809.29
Polar Surface Area: 92 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 326.8±5.0 cm3

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