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Search term: 81360789 (Found by CSID)
ChemSpider 2D Image | penerpene H | C27H31NO5

penerpene H

  • Molecular FormulaC27H31NO5
  • Average mass449.539 Da
  • Monoisotopic mass449.220215 Da
  • ChemSpider ID81360789

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,4bS,6aR,12bS,12cR,14aS)-4b-Hydroxy-2-(2-hydroxy-2-propanyl)-12b,12c-dimethyl-4b,5,6,6a,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3,7-dion [German] [ACD/IUPAC Name]
(2R,4bS,6aR,12bS,12cR,14aS)-4b-Hydroxy-2-(2-hydroxy-2-propanyl)-12b,12c-dimethyl-4b,5,6,6a,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indole-3,7-dione [ACD/IUPAC Name]
(2R,4bS,6aR,12bS,12cR,14aS)-4b-Hydroxy-2-(2-hydroxy-2-propanyl)-12b,12c-diméthyl-4b,5,6,6a,12,12b,12c,13,14,14a-décahydro-2H-chroméno[5',6':6,7]indéno[1,2-b]indole-3,7-dione [French] [ACD/IUPAC Name]
2H-1-Benzopyrano[5',6':6,7]indeno[1,2-b]indole-3,7-dione, 4b,5,6,6a,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, (2R,4bS,6aR,12bS,12cR,14aS)- [ACD/Index Name]
penerpene H

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

Density: 1.4±0.1 g/cm3
Boiling Point: 700.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 377.2±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 122.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 181.41
ACD/KOC (pH 5.5): 1439.97
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 181.41
ACD/KOC (pH 7.4): 1439.97
Polar Surface Area: 100 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 328.5±5.0 cm3

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